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)NCc1ccc(OC)cc1O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000792998791 1078044880 /nfs/dbraw/zinc/04/48/80/1078044880.db2.gz CFFOHGZNEPDDMW-UNMCSNQZSA-N 1 1 413.518 2.880 20 10 HFCDMO CC[C@H](NC(=O)NCc1ccc(OC)cc1O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000792998791 1078044884 /nfs/dbraw/zinc/04/48/84/1078044884.db2.gz CFFOHGZNEPDDMW-UNMCSNQZSA-N 1 1 413.518 2.880 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(F)ccc3-n3cccn3)CC2)cc1 ZINC000793247422 1078109491 /nfs/dbraw/zinc/10/94/91/1078109491.db2.gz OCXURUKCYPHMRE-UHFFFAOYSA-N 1 1 423.492 2.572 20 10 HFCDMO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000793899987 1078332648 /nfs/dbraw/zinc/33/26/48/1078332648.db2.gz DZDZEXWBNMQBSK-MOPGFXCFSA-N 1 1 402.583 2.728 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1F ZINC000804852290 1078722463 /nfs/dbraw/zinc/72/24/63/1078722463.db2.gz GECGZZBFOOIYCN-WMZOPIPTSA-N 1 1 406.546 2.619 20 10 HFCDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000805637711 1079191603 /nfs/dbraw/zinc/19/16/03/1079191603.db2.gz YOTLFFBMSCNVFO-SFHVURJKSA-N 1 1 402.583 2.728 20 10 HFCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000805807859 1079284226 /nfs/dbraw/zinc/28/42/26/1079284226.db2.gz OBVGHKMHSHEEGM-SFHVURJKSA-N 1 1 423.513 2.950 20 10 HFCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000805807859 1079284233 /nfs/dbraw/zinc/28/42/33/1079284233.db2.gz OBVGHKMHSHEEGM-SFHVURJKSA-N 1 1 423.513 2.950 20 10 HFCDMO CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@@H+](Cc3ccccc3)CC[C@@H]1C)cc2=O ZINC000746678447 1076769145 /nfs/dbraw/zinc/76/91/45/1076769145.db2.gz XFIDHBQZRHSQPB-KRWDZBQOSA-N 1 1 423.517 2.708 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000787627393 1076882980 /nfs/dbraw/zinc/88/29/80/1076882980.db2.gz QJEADBLSOPVSNP-UHFFFAOYSA-N 1 1 422.573 2.630 20 10 HFCDMO C[N@@H+]1C[C@H]2CN(C(=O)CCCN3C(=O)/C(=C\c4cccs4)SC3=S)C[C@H]2C1 ZINC000787636948 1076891301 /nfs/dbraw/zinc/89/13/01/1076891301.db2.gz CJDVODNSGFUOEE-PAONJLBZSA-N 1 1 421.613 2.750 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000787715202 1076923796 /nfs/dbraw/zinc/92/37/96/1076923796.db2.gz BJJGEVOVMZBSLP-UHFFFAOYSA-N 1 1 422.573 2.714 20 10 HFCDMO NS(=O)(=O)c1cc(Cl)cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000787731437 1076933482 /nfs/dbraw/zinc/93/34/82/1076933482.db2.gz RXGQOHDXMABUDG-QGZVFWFLSA-N 1 1 410.923 2.874 20 10 HFCDMO CC(C)(C)OC(=O)N1CCN(CC[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000788019667 1077030273 /nfs/dbraw/zinc/03/02/73/1077030273.db2.gz MAYPKHCZPIFSBJ-HXUWFJFHSA-N 1 1 419.566 2.926 20 10 HFCDMO CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000788323419 1077121168 /nfs/dbraw/zinc/12/11/68/1077121168.db2.gz MPVYNXLDZQGPGK-UHFFFAOYSA-N 1 1 419.589 2.985 20 10 HFCDMO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000788930455 1077340386 /nfs/dbraw/zinc/34/03/86/1077340386.db2.gz AUNSCGOXSZPTSJ-QHCPKHFHSA-N 1 1 420.557 2.684 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000788954283 1077361438 /nfs/dbraw/zinc/36/14/38/1077361438.db2.gz JKSPSRTVYXQVPW-FGZHOGPDSA-N 1 1 408.546 2.711 20 10 HFCDMO COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000789454561 1077580675 /nfs/dbraw/zinc/58/06/75/1077580675.db2.gz AZEWDZNGJFKOTJ-QFIPXVFZSA-N 1 1 411.546 2.533 20 10 HFCDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000789454561 1077580680 /nfs/dbraw/zinc/58/06/80/1077580680.db2.gz AZEWDZNGJFKOTJ-QFIPXVFZSA-N 1 1 411.546 2.533 20 10 HFCDMO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000790292640 1077987567 /nfs/dbraw/zinc/98/75/67/1077987567.db2.gz QCEBDUBYMVBQRC-VXKWHMMOSA-N 1 1 424.545 2.617 20 10 HFCDMO Cc1cc(N2CC[NH+](Cc3ccc(N(C)C)cc3C(F)(F)F)CC2)n2ncnc2n1 ZINC000792789196 1077991971 /nfs/dbraw/zinc/99/19/71/1077991971.db2.gz HFARUGTUARXJNS-UHFFFAOYSA-N 1 1 419.455 2.840 20 10 HFCDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CCCCC[C@@H]3CCO)cc2F)C[C@@H](C)O1 ZINC000792923631 1078026725 /nfs/dbraw/zinc/02/67/25/1078026725.db2.gz DZIJFAIJKMKJRZ-QWFCFKBJSA-N 1 1 421.557 2.683 20 10 HFCDMO COc1ccc(CNC(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c(O)c1 ZINC000792936265 1078029136 /nfs/dbraw/zinc/02/91/36/1078029136.db2.gz SVHZZBQYYOASQM-UHFFFAOYSA-N 1 1 402.495 2.717 20 10 HFCDMO NC(=O)C[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 ZINC000806553305 1079817082 /nfs/dbraw/zinc/81/70/82/1079817082.db2.gz MFBRPVILTOHLBO-BEFAXECRSA-N 1 1 405.458 2.931 20 10 HFCDMO NC(=O)C[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 ZINC000806553305 1079817101 /nfs/dbraw/zinc/81/71/01/1079817101.db2.gz MFBRPVILTOHLBO-BEFAXECRSA-N 1 1 405.458 2.931 20 10 HFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000806992422 1080171429 /nfs/dbraw/zinc/17/14/29/1080171429.db2.gz STKMLTWFFFOUNC-CVEARBPZSA-N 1 1 402.322 2.876 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807099833 1080278510 /nfs/dbraw/zinc/27/85/10/1080278510.db2.gz BOYYAOGZTXLIHW-KNQAVFIVSA-N 1 1 422.573 2.704 20 10 HFCDMO CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807099266 1080279033 /nfs/dbraw/zinc/27/90/33/1080279033.db2.gz POGAXPCHUJRCBZ-HSZRJFAPSA-N 1 1 422.573 2.800 20 10 HFCDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cnc(C2OCCO2)s1 ZINC000807108262 1080287024 /nfs/dbraw/zinc/28/70/24/1080287024.db2.gz SNBSUHAHMWHHRP-CQSZACIVSA-N 1 1 423.922 2.942 20 10 HFCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cnc(C2OCCO2)s1 ZINC000807108262 1080287032 /nfs/dbraw/zinc/28/70/32/1080287032.db2.gz SNBSUHAHMWHHRP-CQSZACIVSA-N 1 1 423.922 2.942 20 10 HFCDMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000807385744 1080581258 /nfs/dbraw/zinc/58/12/58/1080581258.db2.gz IAJHIUCQSGTYQX-UHFFFAOYSA-N 1 1 410.474 2.616 20 10 HFCDMO C[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807545699 1080762227 /nfs/dbraw/zinc/76/22/27/1080762227.db2.gz JNDCUDLCGVINFX-FGSXEWAUSA-N 1 1 408.546 2.567 20 10 HFCDMO CC[C@@H](NC(=O)NCc1ccc(OC)cc1O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000792998784 1078044322 /nfs/dbraw/zinc/04/43/22/1078044322.db2.gz CFFOHGZNEPDDMW-IFMALSPDSA-N 1 1 413.518 2.880 20 10 HFCDMO CC[C@@H](NC(=O)NCc1ccc(OC)cc1O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000792998784 1078044327 /nfs/dbraw/zinc/04/43/27/1078044327.db2.gz CFFOHGZNEPDDMW-IFMALSPDSA-N 1 1 413.518 2.880 20 10 HFCDMO CC1CCN(c2ccc(CNC(=O)C(=O)NCC[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000793839211 1078311305 /nfs/dbraw/zinc/31/13/05/1078311305.db2.gz PKKLLGNZILISMZ-UHFFFAOYSA-N 1 1 422.573 2.787 20 10 HFCDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000793909417 1078334848 /nfs/dbraw/zinc/33/48/48/1078334848.db2.gz GUBSUEOKDIJYMF-HDICACEKSA-N 1 1 414.594 2.558 20 10 HFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000793912280 1078336052 /nfs/dbraw/zinc/33/60/52/1078336052.db2.gz OZXXQHRJOOZALL-CEXWTWQISA-N 1 1 402.583 2.584 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804644241 1078698403 /nfs/dbraw/zinc/69/84/03/1078698403.db2.gz ZPCMZWKXIVGENP-UGKGYDQZSA-N 1 1 422.573 2.847 20 10 HFCDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000805020206 1078831995 /nfs/dbraw/zinc/83/19/95/1078831995.db2.gz PUFVVGCHWQUBJB-OAQYLSRUSA-N 1 1 414.594 2.633 20 10 HFCDMO C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000805025671 1078837611 /nfs/dbraw/zinc/83/76/11/1078837611.db2.gz TUTSUYKUGUKJJY-PMACEKPBSA-N 1 1 414.594 2.776 20 10 HFCDMO C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000805025674 1078837957 /nfs/dbraw/zinc/83/79/57/1078837957.db2.gz TUTSUYKUGUKJJY-WOJBJXKFSA-N 1 1 414.594 2.776 20 10 HFCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000746675604 1076750144 /nfs/dbraw/zinc/75/01/44/1076750144.db2.gz NTOYLNFXDOHJES-QGZVFWFLSA-N 1 1 411.502 2.635 20 10 HFCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000746675604 1076750149 /nfs/dbraw/zinc/75/01/49/1076750149.db2.gz NTOYLNFXDOHJES-QGZVFWFLSA-N 1 1 411.502 2.635 20 10 HFCDMO Cc1[nH+]ccn1CCCNC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000787651442 1076897726 /nfs/dbraw/zinc/89/77/26/1076897726.db2.gz GVZGBXJTYRENGG-UHFFFAOYSA-N 1 1 411.550 2.783 20 10 HFCDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000787908678 1076990081 /nfs/dbraw/zinc/99/00/81/1076990081.db2.gz INLRYVFHNGFVOW-IBGZPJMESA-N 1 1 414.594 2.872 20 10 HFCDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000787901097 1077004666 /nfs/dbraw/zinc/00/46/66/1077004666.db2.gz ABQQFJFFQUYLSH-LJQANCHMSA-N 1 1 400.567 2.674 20 10 HFCDMO O=C(c1ccccc1)N1C[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)N2CC[C@H]1C2 ZINC000790982638 1077269362 /nfs/dbraw/zinc/26/93/62/1077269362.db2.gz VZDKNLLREVRRKD-HOTGVXAUSA-N 1 1 403.885 2.873 20 10 HFCDMO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000788934760 1077369379 /nfs/dbraw/zinc/36/93/79/1077369379.db2.gz ZBTJIAFFUCHNDE-JOCHJYFZSA-N 1 1 420.557 2.541 20 10 HFCDMO CO[C@]1(C)CCC[N@@H+](CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000791554759 1077476765 /nfs/dbraw/zinc/47/67/65/1077476765.db2.gz HBECAZWSSZQHHF-PNLZDCPESA-N 1 1 407.530 2.556 20 10 HFCDMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000792241184 1077761440 /nfs/dbraw/zinc/76/14/40/1077761440.db2.gz KGGLODAZVICSJG-UHFFFAOYSA-N 1 1 417.550 2.830 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cccc(SC)n3)CC2)cc1 ZINC000806780203 1080005667 /nfs/dbraw/zinc/00/56/67/1080005667.db2.gz JNJQYNFJXQNNLY-UHFFFAOYSA-N 1 1 401.536 2.756 20 10 HFCDMO CN(C)c1[nH+]cnc2c1cc(C(=O)NCc1ccc(N3CCSCC3)cc1)n2C ZINC000747358723 1080052382 /nfs/dbraw/zinc/05/23/82/1080052382.db2.gz AYCNSJZPLSCXBO-UHFFFAOYSA-N 1 1 410.547 2.518 20 10 HFCDMO C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 ZINC000807210242 1080360513 /nfs/dbraw/zinc/36/05/13/1080360513.db2.gz WWHZMIORJDWSMO-SJORKVTESA-N 1 1 408.974 2.784 20 10 HFCDMO COC(=O)[C@]12C[N@@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000793346180 1078154684 /nfs/dbraw/zinc/15/46/84/1078154684.db2.gz FKHQTSDOMFIQEI-LAUBAEHRSA-N 1 1 403.479 2.597 20 10 HFCDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000793901244 1078332820 /nfs/dbraw/zinc/33/28/20/1078332820.db2.gz LULMZICZZDWYSW-UXHICEINSA-N 1 1 414.594 2.776 20 10 HFCDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000793905150 1078333842 /nfs/dbraw/zinc/33/38/42/1078333842.db2.gz ZYRSLXZCMNVFFN-MSOLQXFVSA-N 1 1 413.518 2.751 20 10 HFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000793912288 1078336095 /nfs/dbraw/zinc/33/60/95/1078336095.db2.gz OZXXQHRJOOZALL-OTWHNJEPSA-N 1 1 402.583 2.584 20 10 HFCDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000793914503 1078336701 /nfs/dbraw/zinc/33/67/01/1078336701.db2.gz ULSCMKXOIUKTLI-KDURUIRLSA-N 1 1 412.578 2.552 20 10 HFCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000793900159 1078343936 /nfs/dbraw/zinc/34/39/36/1078343936.db2.gz GSWXNKOYUBXZGH-RTBURBONSA-N 1 1 402.583 2.726 20 10 HFCDMO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000793900090 1078344040 /nfs/dbraw/zinc/34/40/40/1078344040.db2.gz DZDZEXWBNMQBSK-RTBURBONSA-N 1 1 402.583 2.728 20 10 HFCDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000804424258 1078470885 /nfs/dbraw/zinc/47/08/85/1078470885.db2.gz CQIBKUJTVOXFRN-NRFANRHFSA-N 1 1 400.567 2.626 20 10 HFCDMO C[NH+]1CCN([C@H](C(=O)NCc2cc(Br)ccc2O)c2ccccc2)CC1 ZINC000804739119 1078597526 /nfs/dbraw/zinc/59/75/26/1078597526.db2.gz RBQISQODSOUENV-IBGZPJMESA-N 1 1 418.335 2.760 20 10 HFCDMO CC[N@@H+]1CCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000804795832 1078629568 /nfs/dbraw/zinc/62/95/68/1078629568.db2.gz ZIEWJVPTQMCBHI-VIFPVBQESA-N 1 1 403.233 2.805 20 10 HFCDMO CC[N@H+]1CCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000804795832 1078629572 /nfs/dbraw/zinc/62/95/72/1078629572.db2.gz ZIEWJVPTQMCBHI-VIFPVBQESA-N 1 1 403.233 2.805 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1F ZINC000804853111 1078724714 /nfs/dbraw/zinc/72/47/14/1078724714.db2.gz SZXWHUPXUKIEPJ-LJQANCHMSA-N 1 1 406.546 2.525 20 10 HFCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)C1 ZINC001130055545 1078841670 /nfs/dbraw/zinc/84/16/70/1078841670.db2.gz MLUDQPATXDSXIJ-IYARVYRRSA-N 1 1 410.562 2.816 20 10 HFCDMO 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C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2Cl)C1 ZINC000806042842 1079411619 /nfs/dbraw/zinc/41/16/19/1079411619.db2.gz VFLHOQJGAGBSNI-JFIYKMOQSA-N 1 1 420.985 2.791 20 10 HFCDMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000746693563 1076872679 /nfs/dbraw/zinc/87/26/79/1076872679.db2.gz ZDSXCKXZVFVBHX-CQSZACIVSA-N 1 1 414.934 2.699 20 10 HFCDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000787908682 1076990100 /nfs/dbraw/zinc/99/01/00/1076990100.db2.gz INLRYVFHNGFVOW-LJQANCHMSA-N 1 1 414.594 2.872 20 10 HFCDMO CN(C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000788930653 1077340015 /nfs/dbraw/zinc/34/00/15/1077340015.db2.gz UOQGGCJJQKCAJQ-HSZRJFAPSA-N 1 1 420.557 2.636 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000788929803 1077340928 /nfs/dbraw/zinc/34/09/28/1077340928.db2.gz ZSNKGZMBZVSBEC-UHFFFAOYSA-N 1 1 400.567 2.626 20 10 HFCDMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000788931051 1077341490 /nfs/dbraw/zinc/34/14/90/1077341490.db2.gz DCCOMMRMOZUEKO-UYAOXDASSA-N 1 1 412.578 2.672 20 10 HFCDMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000788931049 1077341586 /nfs/dbraw/zinc/34/15/86/1077341586.db2.gz DCCOMMRMOZUEKO-QUCCMNQESA-N 1 1 412.578 2.672 20 10 HFCDMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000788908878 1077349216 /nfs/dbraw/zinc/34/92/16/1077349216.db2.gz CIWRKZRSPVLKOQ-UHFFFAOYSA-N 1 1 408.546 2.671 20 10 HFCDMO O=C(NCc1ccc(N2CCOCC2)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792053120 1077659474 /nfs/dbraw/zinc/65/94/74/1077659474.db2.gz XUTDHSYPRLODMT-ZRZAMGCNSA-N 1 1 420.557 2.797 20 10 HFCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000792887143 1078017232 /nfs/dbraw/zinc/01/72/32/1078017232.db2.gz ZMVZSYWHOAANGZ-UHFFFAOYSA-N 1 1 402.489 2.859 20 10 HFCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000792887143 1078017235 /nfs/dbraw/zinc/01/72/35/1078017235.db2.gz ZMVZSYWHOAANGZ-UHFFFAOYSA-N 1 1 402.489 2.859 20 10 HFCDMO C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000806425858 1079671264 /nfs/dbraw/zinc/67/12/64/1079671264.db2.gz QWWJOTZEMTYMBS-AVRDEDQJSA-N 1 1 408.546 2.711 20 10 HFCDMO CCN1CCN(c2ccc(CNC(=O)N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)cc2F)CC1 ZINC000806749579 1080003788 /nfs/dbraw/zinc/00/37/88/1080003788.db2.gz CKKXSTPUMHBJRV-ICSRJNTNSA-N 1 1 417.573 2.736 20 10 HFCDMO C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000806788718 1080009618 /nfs/dbraw/zinc/00/96/18/1080009618.db2.gz HHXGCFBHVKPDON-LAUBAEHRSA-N 1 1 400.567 2.843 20 10 HFCDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)sn1 ZINC000807008961 1080207349 /nfs/dbraw/zinc/20/73/49/1080207349.db2.gz IYSRRFWJBRNOBQ-CQSZACIVSA-N 1 1 408.911 2.530 20 10 HFCDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)sn1 ZINC000807008961 1080207356 /nfs/dbraw/zinc/20/73/56/1080207356.db2.gz IYSRRFWJBRNOBQ-CQSZACIVSA-N 1 1 408.911 2.530 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000807096318 1080274606 /nfs/dbraw/zinc/27/46/06/1080274606.db2.gz BQTRJQDWIABFNG-HXUWFJFHSA-N 1 1 422.573 2.800 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000807096967 1080274740 /nfs/dbraw/zinc/27/47/40/1080274740.db2.gz MHYYVLZYBDQVDH-PMACEKPBSA-N 1 1 414.594 2.790 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000807101266 1080281486 /nfs/dbraw/zinc/28/14/86/1080281486.db2.gz VWZFSGJFZPQAED-LJQANCHMSA-N 1 1 410.562 2.704 20 10 HFCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CN(CC(F)(F)F)C1 ZINC000807106758 1080285395 /nfs/dbraw/zinc/28/53/95/1080285395.db2.gz AXPVKZOSNMLDNB-HNNXBMFYSA-N 1 1 405.848 2.620 20 10 HFCDMO 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OWFMIQNZMUJKNY-UHFFFAOYSA-N 1 1 421.501 2.726 20 10 HFCDMO C[N@@H+]1C[C@H]2CN(C(=O)CCCN3C(=O)/C(=C/c4cccs4)SC3=S)C[C@H]2C1 ZINC000787636956 1076891280 /nfs/dbraw/zinc/89/12/80/1076891280.db2.gz CJDVODNSGFUOEE-TZZOCQFFSA-N 1 1 421.613 2.750 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1F ZINC000787640824 1076892854 /nfs/dbraw/zinc/89/28/54/1076892854.db2.gz REDCUJJTDHAOIG-LJQANCHMSA-N 1 1 420.554 2.769 20 10 HFCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000787655171 1076899616 /nfs/dbraw/zinc/89/96/16/1076899616.db2.gz QSYXPYDVWNFYTC-FQEVSTJZSA-N 1 1 416.591 2.970 20 10 HFCDMO C[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000746721638 1077010915 /nfs/dbraw/zinc/01/09/15/1077010915.db2.gz GFGJXZMNWHRPKR-GOSISDBHSA-N 1 1 413.541 2.902 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCc4cc(OC)ccc43)CC2)cc1 ZINC000746960733 1077270271 /nfs/dbraw/zinc/27/02/71/1077270271.db2.gz HQBYJHKBTXQGHW-UHFFFAOYSA-N 1 1 410.518 2.598 20 10 HFCDMO 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/nfs/dbraw/zinc/04/60/90/1078046090.db2.gz USHXMGYERDYCAQ-HXUWFJFHSA-N 1 1 406.546 2.706 20 10 HFCDMO COc1ccc(N2CCCN(C(=O)c3c(C)nn(C)c3-n3cc[nH+]c3C)CC2)cc1 ZINC000793136365 1078088016 /nfs/dbraw/zinc/08/80/16/1078088016.db2.gz CMVOEROJMGOBMW-UHFFFAOYSA-N 1 1 408.506 2.584 20 10 HFCDMO CC(C)(C)[N@H+]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000746947756 1078145998 /nfs/dbraw/zinc/14/59/98/1078145998.db2.gz ULSRWSHEYVKMBX-UHFFFAOYSA-N 1 1 406.546 2.803 20 10 HFCDMO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000793838643 1078311272 /nfs/dbraw/zinc/31/12/72/1078311272.db2.gz AZNYHBLDZOAKAU-CTNGQTDRSA-N 1 1 422.573 2.958 20 10 HFCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000793932033 1078341997 /nfs/dbraw/zinc/34/19/97/1078341997.db2.gz RJVBDPLUEAVUAU-AVRDEDQJSA-N 1 1 420.557 2.637 20 10 HFCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805019729 1078830332 /nfs/dbraw/zinc/83/03/32/1078830332.db2.gz KCWHQRYJYQGFGG-YADHBBJMSA-N 1 1 412.578 2.624 20 10 HFCDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C[C@@H]1C ZINC000805024092 1078837305 /nfs/dbraw/zinc/83/73/05/1078837305.db2.gz ACYPBHYTVDMHNO-SIKLNZKXSA-N 1 1 414.594 2.870 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000805196277 1078970747 /nfs/dbraw/zinc/97/07/47/1078970747.db2.gz SMTPXOKYXATQBG-RUZDIDTESA-N 1 1 422.573 2.848 20 10 HFCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)C1 ZINC001130210730 1079088089 /nfs/dbraw/zinc/08/80/89/1079088089.db2.gz XYKZBSIFOPIIGQ-FGTMMUONSA-N 1 1 410.562 2.874 20 10 HFCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)C1 ZINC001130210733 1079088117 /nfs/dbraw/zinc/08/81/17/1079088117.db2.gz XYKZBSIFOPIIGQ-RCCFBDPRSA-N 1 1 410.562 2.874 20 10 HFCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)C1 ZINC001130210731 1079088177 /nfs/dbraw/zinc/08/81/77/1079088177.db2.gz XYKZBSIFOPIIGQ-KZNAEPCWSA-N 1 1 410.562 2.874 20 10 HFCDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000805635946 1079189109 /nfs/dbraw/zinc/18/91/09/1079189109.db2.gz GKNXGCLCNQOPMG-MSOLQXFVSA-N 1 1 402.583 2.947 20 10 HFCDMO C[C@@H](CO)[N@@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCCC1 ZINC000805752164 1079231249 /nfs/dbraw/zinc/23/12/49/1079231249.db2.gz ZRCUGYPEJGHJAC-RCCFBDPRSA-N 1 1 421.557 2.681 20 10 HFCDMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000746693215 1076870980 /nfs/dbraw/zinc/87/09/80/1076870980.db2.gz HICLIXWDGCFSLB-QGZVFWFLSA-N 1 1 422.982 2.877 20 10 HFCDMO CC[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000787630944 1076884199 /nfs/dbraw/zinc/88/41/99/1076884199.db2.gz FHNGUVLGDOOJJO-QFIPXVFZSA-N 1 1 422.573 2.664 20 10 HFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000787903184 1076988032 /nfs/dbraw/zinc/98/80/32/1076988032.db2.gz KKIFRSOUTWJSSY-IBGZPJMESA-N 1 1 402.583 2.872 20 10 HFCDMO CN(c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1)C1CCCCC1 ZINC000788565461 1077208131 /nfs/dbraw/zinc/20/81/31/1077208131.db2.gz VOODJPXOGUGUEW-UGKGYDQZSA-N 1 1 412.578 2.815 20 10 HFCDMO C[N@@H+](CCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCCC1 ZINC000791127922 1077296361 /nfs/dbraw/zinc/29/63/61/1077296361.db2.gz KFDAKUCARFNYII-LJQANCHMSA-N 1 1 400.567 2.659 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000788953166 1077361147 /nfs/dbraw/zinc/36/11/47/1077361147.db2.gz ZFTCNEDRIGEQKO-WMZHIEFXSA-N 1 1 422.573 2.786 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=S)NCCc3ccc(F)cc3)CC2)cc1 ZINC000789209439 1077463557 /nfs/dbraw/zinc/46/35/57/1077463557.db2.gz VILPNRPQPAYIPP-UHFFFAOYSA-N 1 1 416.566 2.663 20 10 HFCDMO O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000789658283 1077722546 /nfs/dbraw/zinc/72/25/46/1077722546.db2.gz FDJNJWWFGJBPTN-QGZVFWFLSA-N 1 1 418.588 2.522 20 10 HFCDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000789722475 1077758033 /nfs/dbraw/zinc/75/80/33/1077758033.db2.gz JYIJXZDXKOKUHR-MRXNPFEDSA-N 1 1 415.559 2.755 20 10 HFCDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000789722475 1077758037 /nfs/dbraw/zinc/75/80/37/1077758037.db2.gz JYIJXZDXKOKUHR-MRXNPFEDSA-N 1 1 415.559 2.755 20 10 HFCDMO NC(=O)c1ccccc1CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000792238307 1077759709 /nfs/dbraw/zinc/75/97/09/1077759709.db2.gz OUWHBTBSHQBGAP-SFHVURJKSA-N 1 1 415.921 2.858 20 10 HFCDMO C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000792332730 1077822085 /nfs/dbraw/zinc/82/20/85/1077822085.db2.gz MBHCCHXVQFITII-QGZVFWFLSA-N 1 1 404.555 2.873 20 10 HFCDMO CCC[N@@H+](CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)Cc1ccccc1O ZINC000772798050 1077900341 /nfs/dbraw/zinc/90/03/41/1077900341.db2.gz NBLYELKOHPFKBX-UHFFFAOYSA-N 1 1 410.518 2.981 20 10 HFCDMO CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1)C1CCCCC1 ZINC000790273802 1077993134 /nfs/dbraw/zinc/99/31/34/1077993134.db2.gz HWQAXYQZGSIHNK-YADHBBJMSA-N 1 1 412.578 2.815 20 10 HFCDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CCCCC[C@@H]3CCO)cc2F)C[C@H](C)O1 ZINC000792923633 1078026776 /nfs/dbraw/zinc/02/67/76/1078026776.db2.gz DZIJFAIJKMKJRZ-WSTZPKSXSA-N 1 1 421.557 2.683 20 10 HFCDMO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000806787855 1080010188 /nfs/dbraw/zinc/01/01/88/1080010188.db2.gz NTFYRDPKOLTTSY-NRFANRHFSA-N 1 1 400.567 2.624 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000807095036 1080273311 /nfs/dbraw/zinc/27/33/11/1080273311.db2.gz IPAXRYXNKRMWNF-RUZDIDTESA-N 1 1 422.573 2.706 20 10 HFCDMO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000807292603 1080481833 /nfs/dbraw/zinc/48/18/33/1080481833.db2.gz UWIBBBFKYHOFRM-UHFFFAOYSA-N 1 1 412.578 2.650 20 10 HFCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790787427 1078134562 /nfs/dbraw/zinc/13/45/62/1078134562.db2.gz FDWGZEZUZUDVLM-FXAWDEMLSA-N 1 1 414.893 2.714 20 10 HFCDMO C[N@@H+]1CCN(Cc2cc(Br)ccc2O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604927 1078222561 /nfs/dbraw/zinc/22/25/61/1078222561.db2.gz SLZPBNRNOJPUIX-HNNXBMFYSA-N 1 1 414.344 2.795 20 10 HFCDMO C[N@H+]1CCN(Cc2cc(Br)ccc2O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604927 1078222564 /nfs/dbraw/zinc/22/25/64/1078222564.db2.gz SLZPBNRNOJPUIX-HNNXBMFYSA-N 1 1 414.344 2.795 20 10 HFCDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000793899772 1078332873 /nfs/dbraw/zinc/33/28/73/1078332873.db2.gz RQCZNTRRKYFQNU-UHFFFAOYSA-N 1 1 423.492 2.661 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1F ZINC000793901950 1078333280 /nfs/dbraw/zinc/33/32/80/1078333280.db2.gz PBLJETLAYYKPHU-IRXDYDNUSA-N 1 1 406.546 2.525 20 10 HFCDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000804418648 1078468938 /nfs/dbraw/zinc/46/89/38/1078468938.db2.gz SDBIYBLFFPDRGY-OAQYLSRUSA-N 1 1 400.567 2.530 20 10 HFCDMO COC1CCN(c2ccc(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cc2)CC1 ZINC001170452251 1078519735 /nfs/dbraw/zinc/51/97/35/1078519735.db2.gz UIGCAVMIYBEUBT-LJQANCHMSA-N 1 1 407.555 2.619 20 10 HFCDMO O=C(NCc1cc(Br)ccc1O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000804734702 1078592586 /nfs/dbraw/zinc/59/25/86/1078592586.db2.gz WRQIMKJVZZPERJ-SFHVURJKSA-N 1 1 405.292 2.672 20 10 HFCDMO O=C(NCc1cc(Br)ccc1O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804734702 1078592595 /nfs/dbraw/zinc/59/25/95/1078592595.db2.gz WRQIMKJVZZPERJ-SFHVURJKSA-N 1 1 405.292 2.672 20 10 HFCDMO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000804643841 1078698703 /nfs/dbraw/zinc/69/87/03/1078698703.db2.gz PYVLLRCUZAIQER-DENIHFKCSA-N 1 1 422.573 2.880 20 10 HFCDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@@H](C)C1 ZINC000805023401 1078835499 /nfs/dbraw/zinc/83/54/99/1078835499.db2.gz GVJPVWQSAFODDD-UGKGYDQZSA-N 1 1 414.594 2.728 20 10 HFCDMO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000805208754 1078987402 /nfs/dbraw/zinc/98/74/02/1078987402.db2.gz GROIREQHZLRZTF-HZPDHXFCSA-N 1 1 412.328 2.597 20 10 HFCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000746675603 1076750120 /nfs/dbraw/zinc/75/01/20/1076750120.db2.gz NTOYLNFXDOHJES-KRWDZBQOSA-N 1 1 411.502 2.635 20 10 HFCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000746675603 1076750127 /nfs/dbraw/zinc/75/01/27/1076750127.db2.gz NTOYLNFXDOHJES-KRWDZBQOSA-N 1 1 411.502 2.635 20 10 HFCDMO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000746693562 1076872573 /nfs/dbraw/zinc/87/25/73/1076872573.db2.gz ZDSXCKXZVFVBHX-AWEZNQCLSA-N 1 1 414.934 2.699 20 10 HFCDMO CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1)C1CCCCC1 ZINC000788565453 1077208120 /nfs/dbraw/zinc/20/81/20/1077208120.db2.gz VOODJPXOGUGUEW-KNQAVFIVSA-N 1 1 412.578 2.815 20 10 HFCDMO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000788583111 1077212274 /nfs/dbraw/zinc/21/22/74/1077212274.db2.gz JKRWTJYIGKVRBJ-PZJWPPBQSA-N 1 1 424.545 2.617 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000788928588 1077338832 /nfs/dbraw/zinc/33/88/32/1077338832.db2.gz LRZFOTDSXFFZFD-KNQAVFIVSA-N 1 1 412.578 2.624 20 10 HFCDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788909248 1077349260 /nfs/dbraw/zinc/34/92/60/1077349260.db2.gz FEIIGVREEIBLDT-OAQYLSRUSA-N 1 1 400.567 2.674 20 10 HFCDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788910359 1077349729 /nfs/dbraw/zinc/34/97/29/1077349729.db2.gz JXYPFCFAIDFPIY-GOSISDBHSA-N 1 1 400.567 2.530 20 10 HFCDMO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000788909890 1077350093 /nfs/dbraw/zinc/35/00/93/1077350093.db2.gz ICPXELDVGDWTRG-QFIPXVFZSA-N 1 1 412.578 2.816 20 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COC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000789454559 1077580689 /nfs/dbraw/zinc/58/06/89/1077580689.db2.gz AZEWDZNGJFKOTJ-JOCHJYFZSA-N 1 1 411.546 2.533 20 10 HFCDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000789454559 1077580693 /nfs/dbraw/zinc/58/06/93/1077580693.db2.gz AZEWDZNGJFKOTJ-JOCHJYFZSA-N 1 1 411.546 2.533 20 10 HFCDMO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000746832180 1077654761 /nfs/dbraw/zinc/65/47/61/1077654761.db2.gz RGPCFTYULNPXEW-QFIPXVFZSA-N 1 1 411.571 2.930 20 10 HFCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)OC[C@H]2CCCS(=O)(=O)C2)C1 ZINC000792183225 1077737645 /nfs/dbraw/zinc/73/76/45/1077737645.db2.gz GELQCNZVWWUTOS-QGZVFWFLSA-N 1 1 418.559 2.776 20 10 HFCDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000789722472 1077758239 /nfs/dbraw/zinc/75/82/39/1077758239.db2.gz JYIJXZDXKOKUHR-INIZCTEOSA-N 1 1 415.559 2.755 20 10 HFCDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000789722472 1077758246 /nfs/dbraw/zinc/75/82/46/1077758246.db2.gz JYIJXZDXKOKUHR-INIZCTEOSA-N 1 1 415.559 2.755 20 10 HFCDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000806254095 1079522840 /nfs/dbraw/zinc/52/28/40/1079522840.db2.gz ZFJSQSUJQOQNFE-LJQANCHMSA-N 1 1 400.567 2.624 20 10 HFCDMO O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000806278778 1079541918 /nfs/dbraw/zinc/54/19/18/1079541918.db2.gz WUYULWHYQVXDRF-INIZCTEOSA-N 1 1 410.609 2.655 20 10 HFCDMO C[C@H](NC(=O)C(=O)NCCCSc1nccs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000806279448 1079542965 /nfs/dbraw/zinc/54/29/65/1079542965.db2.gz ORERYNXDTPDRGM-LSDHHAIUSA-N 1 1 410.609 2.511 20 10 HFCDMO O=C(NCCCSc1nccs1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000806282915 1079545546 /nfs/dbraw/zinc/54/55/46/1079545546.db2.gz YIWDEJNMGFSXDE-QGZVFWFLSA-N 1 1 418.588 2.522 20 10 HFCDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000806425879 1079671305 /nfs/dbraw/zinc/67/13/05/1079671305.db2.gz RISAQEAKXMQLLZ-OAQYLSRUSA-N 1 1 409.530 2.912 20 10 HFCDMO NC(=O)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nc1Cl ZINC000807107578 1080285742 /nfs/dbraw/zinc/28/57/42/1080285742.db2.gz IAUULSKPAOVLCM-CYBMUJFWSA-N 1 1 423.300 2.587 20 10 HFCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000807363182 1080524192 /nfs/dbraw/zinc/52/41/92/1080524192.db2.gz XSQRIOITHWKZBT-VCSGRIEYSA-N 1 1 400.567 2.621 20 10 HFCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC(C)(C)[C@H]3c3cccnc3)CC2)cc1 ZINC000793000144 1078045069 /nfs/dbraw/zinc/04/50/69/1078045069.db2.gz TYJBFQPCGVJWSG-JTHBVZDNSA-N 1 1 410.562 2.656 20 10 HFCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC(C)(C)[C@H]3c3cccnc3)CC2)cc1 ZINC000793000144 1078045073 /nfs/dbraw/zinc/04/50/73/1078045073.db2.gz TYJBFQPCGVJWSG-JTHBVZDNSA-N 1 1 410.562 2.656 20 10 HFCDMO NC(=O)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(Br)c1 ZINC000793269478 1078114669 /nfs/dbraw/zinc/11/46/69/1078114669.db2.gz ZAEJAZLQSKEQKE-SFHVURJKSA-N 1 1 422.298 2.741 20 10 HFCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1COCCN1C1CCCC1 ZINC000793687764 1078257235 /nfs/dbraw/zinc/25/72/35/1078257235.db2.gz BPZRTKYWGXXPGN-UYAOXDASSA-N 1 1 421.969 2.770 20 10 HFCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000793838824 1078311323 /nfs/dbraw/zinc/31/13/23/1078311323.db2.gz MDKOCMDHJLZXEU-UHFFFAOYSA-N 1 1 422.573 2.884 20 10 HFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000793868378 1078328219 /nfs/dbraw/zinc/32/82/19/1078328219.db2.gz ODFMXWVEGCACRQ-UHFFFAOYSA-N 1 1 410.562 2.869 20 10 HFCDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000793901241 1078332770 /nfs/dbraw/zinc/33/27/70/1078332770.db2.gz LULMZICZZDWYSW-PMACEKPBSA-N 1 1 414.594 2.776 20 10 HFCDMO C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[N@@H+](C)C1CC1 ZINC000804430188 1078474900 /nfs/dbraw/zinc/47/49/00/1078474900.db2.gz WYHVGHUJMSNWBV-CVEARBPZSA-N 1 1 420.985 2.791 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1F ZINC000804852282 1078722349 /nfs/dbraw/zinc/72/23/49/1078722349.db2.gz GAXUJOYKEXQQDT-DLBZAZTESA-N 1 1 406.546 2.525 20 10 HFCDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805022916 1078833060 /nfs/dbraw/zinc/83/30/60/1078833060.db2.gz IGNOIGFSKBFPND-OAQYLSRUSA-N 1 1 414.594 2.920 20 10 HFCDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C[C@H]1C ZINC000805024090 1078837183 /nfs/dbraw/zinc/83/71/83/1078837183.db2.gz ACYPBHYTVDMHNO-DENIHFKCSA-N 1 1 414.594 2.870 20 10 HFCDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000805637591 1079190168 /nfs/dbraw/zinc/19/01/68/1079190168.db2.gz VJHSZTUTLWZUII-SFHVURJKSA-N 1 1 402.583 2.694 20 10 HFCDMO C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2Cl)C1 ZINC000806042845 1079411595 /nfs/dbraw/zinc/41/15/95/1079411595.db2.gz VFLHOQJGAGBSNI-NUJGCVRESA-N 1 1 420.985 2.791 20 10 HFCDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000787319670 1076762312 /nfs/dbraw/zinc/76/23/12/1076762312.db2.gz OBSUSBGZFSRMRX-KRWDZBQOSA-N 1 1 417.447 2.941 20 10 HFCDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000787319670 1076762318 /nfs/dbraw/zinc/76/23/18/1076762318.db2.gz OBSUSBGZFSRMRX-KRWDZBQOSA-N 1 1 417.447 2.941 20 10 HFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000787668474 1076904912 /nfs/dbraw/zinc/90/49/12/1076904912.db2.gz FLRKRENIHUYXMU-UHFFFAOYSA-N 1 1 402.583 2.872 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000787707719 1076920418 /nfs/dbraw/zinc/92/04/18/1076920418.db2.gz RMEMRBWNWFJYOS-KDURUIRLSA-N 1 1 402.583 2.633 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000787908456 1076990030 /nfs/dbraw/zinc/99/00/30/1076990030.db2.gz DSQDWPHCBYSGQC-HDICACEKSA-N 1 1 402.583 2.552 20 10 HFCDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000787909046 1076991307 /nfs/dbraw/zinc/99/13/07/1076991307.db2.gz HMABQWRDKXZOSC-BGYRXZFFSA-N 1 1 414.594 2.777 20 10 HFCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000791006803 1077266355 /nfs/dbraw/zinc/26/63/55/1077266355.db2.gz NWVFVZMZFKOVCI-UHFFFAOYSA-N 1 1 414.321 2.519 20 10 HFCDMO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000790976894 1077268991 /nfs/dbraw/zinc/26/89/91/1077268991.db2.gz OTYXPZNUSAUCNA-UHFFFAOYSA-N 1 1 415.870 2.562 20 10 HFCDMO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000788909885 1077350073 /nfs/dbraw/zinc/35/00/73/1077350073.db2.gz ICPXELDVGDWTRG-JOCHJYFZSA-N 1 1 412.578 2.816 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000788952466 1077360351 /nfs/dbraw/zinc/36/03/51/1077360351.db2.gz VPLYCJKRNKTRHR-UHFFFAOYSA-N 1 1 402.583 2.728 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000788975458 1077380816 /nfs/dbraw/zinc/38/08/16/1077380816.db2.gz OUAZHGPEJIRAFQ-UYAOXDASSA-N 1 1 414.594 2.918 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000788976324 1077381108 /nfs/dbraw/zinc/38/11/08/1077381108.db2.gz XCRXYCFWKKLWIT-IBGZPJMESA-N 1 1 422.573 2.712 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000788976324 1077381115 /nfs/dbraw/zinc/38/11/15/1077381115.db2.gz XCRXYCFWKKLWIT-IBGZPJMESA-N 1 1 422.573 2.712 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CC[C@@H](C(F)(F)F)[C@@H]3C)CC2)cc1 ZINC000792056475 1077661868 /nfs/dbraw/zinc/66/18/68/1077661868.db2.gz FIAXUPGPOGANRI-MAUKXSAKSA-N 1 1 414.472 2.800 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCCc4c(O)cccc43)CC2)cc1 ZINC000789748874 1077781467 /nfs/dbraw/zinc/78/14/67/1077781467.db2.gz ZOXBBVKAALBCRZ-QFIPXVFZSA-N 1 1 409.530 2.759 20 10 HFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000772799391 1077902882 /nfs/dbraw/zinc/90/28/82/1077902882.db2.gz ZBAWGZABBSKRPK-NSHDSACASA-N 1 1 400.317 2.989 20 10 HFCDMO COCCN(C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1)[C@H]1CC[C@H](C)C1 ZINC000790263885 1077989620 /nfs/dbraw/zinc/98/96/20/1077989620.db2.gz QPMFYVMDJCBGPZ-FPOVZHCZSA-N 1 1 418.582 2.664 20 10 HFCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)CC2)cc1 ZINC000792909249 1078021477 /nfs/dbraw/zinc/02/14/77/1078021477.db2.gz SNRUOOOAOOSBHL-PKOBYXMFSA-N 1 1 412.361 2.860 20 10 HFCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)CC2)cc1 ZINC000792909249 1078021483 /nfs/dbraw/zinc/02/14/83/1078021483.db2.gz SNRUOOOAOOSBHL-PKOBYXMFSA-N 1 1 412.361 2.860 20 10 HFCDMO C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000806510936 1079787908 /nfs/dbraw/zinc/78/79/08/1079787908.db2.gz BNSHEQRWPLYFKU-WMZHIEFXSA-N 1 1 408.546 2.985 20 10 HFCDMO CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H]([NH+]4CCCC4)[C@@H]3C)cc2F)CC1 ZINC000806750595 1079964896 /nfs/dbraw/zinc/96/48/96/1079964896.db2.gz WCONNOACUKWLDY-GHTZIAJQSA-N 1 1 417.573 2.736 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3ccc(C)nc3Cl)CC2)cc1 ZINC000806847228 1080032186 /nfs/dbraw/zinc/03/21/86/1080032186.db2.gz KSNVENOHLFIDRZ-UHFFFAOYSA-N 1 1 402.926 2.533 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807099834 1080278481 /nfs/dbraw/zinc/27/84/81/1080278481.db2.gz BOYYAOGZTXLIHW-SIKLNZKXSA-N 1 1 422.573 2.704 20 10 HFCDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000807286805 1080449615 /nfs/dbraw/zinc/44/96/15/1080449615.db2.gz AJGQFSZENVJWKU-UNMCSNQZSA-N 1 1 424.589 2.792 20 10 HFCDMO CC[C@H](NC(=O)NCc1ccc(OC)cc1O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000792998788 1078044393 /nfs/dbraw/zinc/04/43/93/1078044393.db2.gz CFFOHGZNEPDDMW-RBBKRZOGSA-N 1 1 413.518 2.880 20 10 HFCDMO CC[C@H](NC(=O)NCc1ccc(OC)cc1O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000792998788 1078044398 /nfs/dbraw/zinc/04/43/98/1078044398.db2.gz CFFOHGZNEPDDMW-RBBKRZOGSA-N 1 1 413.518 2.880 20 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ZINC000793838613 1078310854 /nfs/dbraw/zinc/31/08/54/1078310854.db2.gz ASEQNARNBIGBNT-NRFANRHFSA-N 1 1 422.573 2.706 20 10 HFCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000793932394 1078341798 /nfs/dbraw/zinc/34/17/98/1078341798.db2.gz SMCPEFQKZSNWTH-RXVVDRJESA-N 1 1 408.546 2.663 20 10 HFCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)C(=O)N2CCCC2)C1 ZINC000794397363 1078435623 /nfs/dbraw/zinc/43/56/23/1078435623.db2.gz CBJNDAYNSLMFCF-UHFFFAOYSA-N 1 1 410.562 2.925 20 10 HFCDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000804418647 1078468872 /nfs/dbraw/zinc/46/88/72/1078468872.db2.gz SDBIYBLFFPDRGY-NRFANRHFSA-N 1 1 400.567 2.530 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=O)NCC3(c4ccccn4)CCC3)CC2)cc1 ZINC000805014370 1078825243 /nfs/dbraw/zinc/82/52/43/1078825243.db2.gz YAJPXDMOVFBUGP-UHFFFAOYSA-N 1 1 423.561 2.633 20 10 HFCDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000805020202 1078832132 /nfs/dbraw/zinc/83/21/32/1078832132.db2.gz PUFVVGCHWQUBJB-NRFANRHFSA-N 1 1 414.594 2.633 20 10 HFCDMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000787650458 1076898016 /nfs/dbraw/zinc/89/80/16/1076898016.db2.gz DANIHFROLZIVBK-UHFFFAOYSA-N 1 1 423.517 2.586 20 10 HFCDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000787705294 1076919161 /nfs/dbraw/zinc/91/91/61/1076919161.db2.gz JUIPAXJHQASAIT-KDURUIRLSA-N 1 1 414.594 2.728 20 10 HFCDMO COc1ccc(N2CC[NH+](CCCN[C@H](c3c[nH]nn3)c3ccc(F)cc3)CC2)cc1 ZINC000788505959 1077185571 /nfs/dbraw/zinc/18/55/71/1077185571.db2.gz LFSROUSQJDJVNJ-QHCPKHFHSA-N 1 1 424.524 2.844 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000788928591 1077338809 /nfs/dbraw/zinc/33/88/09/1077338809.db2.gz LRZFOTDSXFFZFD-UGKGYDQZSA-N 1 1 412.578 2.624 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000788976661 1077381029 /nfs/dbraw/zinc/38/10/29/1077381029.db2.gz GNPRBALQVWRJRX-QHCPKHFHSA-N 1 1 422.573 2.930 20 10 HFCDMO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000791623594 1077491324 /nfs/dbraw/zinc/49/13/24/1077491324.db2.gz NVSAZURVGKODKV-ZRZAMGCNSA-N 1 1 406.574 2.775 20 10 HFCDMO CC(C)N1CC[NH+](CCCOC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000792133251 1077717935 /nfs/dbraw/zinc/71/79/35/1077717935.db2.gz IRASHSAKMDMWNN-UHFFFAOYSA-N 1 1 402.564 2.889 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=O)C3CC(OCc4ccccc4)C3)CC2)cc1 ZINC000746838936 1077724450 /nfs/dbraw/zinc/72/44/50/1077724450.db2.gz MRXPYOLKARDGRT-UHFFFAOYSA-N 1 1 423.557 2.929 20 10 HFCDMO COc1ccc(O)c([C@@H](C)NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792238873 1077759221 /nfs/dbraw/zinc/75/92/21/1077759221.db2.gz WWXJMSPEZCQWRA-OAHLLOKOSA-N 1 1 407.511 2.521 20 10 HFCDMO CS(=O)(=O)N(CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Cc1ccccc1 ZINC000792249606 1077764793 /nfs/dbraw/zinc/76/47/93/1077764793.db2.gz MQXHMKPPNIYLNH-OAQYLSRUSA-N 1 1 418.559 2.835 20 10 HFCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CCc4cc(Cl)ccc4C3)CC2)cc1 ZINC000792305564 1077797694 /nfs/dbraw/zinc/79/76/94/1077797694.db2.gz ADYBRUUJTQJYRU-JOCHJYFZSA-N 1 1 415.965 2.890 20 10 HFCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CCc4cc(Cl)ccc4C3)CC2)cc1 ZINC000792305564 1077797698 /nfs/dbraw/zinc/79/76/98/1077797698.db2.gz ADYBRUUJTQJYRU-JOCHJYFZSA-N 1 1 415.965 2.890 20 10 HFCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000772799000 1077904330 /nfs/dbraw/zinc/90/43/30/1077904330.db2.gz VNCCWPDLGTWMLO-JKSUJKDBSA-N 1 1 419.547 2.518 20 10 HFCDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CC[C@]4(C3)CCCOC4)cc2F)C[C@H](C)O1 ZINC000792940759 1078022356 /nfs/dbraw/zinc/02/23/56/1078022356.db2.gz PVQKZZYOYWJINU-IXFSTUDKSA-N 1 1 419.541 2.558 20 10 HFCDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000790436439 1078030476 /nfs/dbraw/zinc/03/04/76/1078030476.db2.gz YLZLWLWGXZTUIO-JPLJXNOCSA-N 1 1 421.557 2.681 20 10 HFCDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000806254093 1079522109 /nfs/dbraw/zinc/52/21/09/1079522109.db2.gz ZFJSQSUJQOQNFE-IBGZPJMESA-N 1 1 400.567 2.624 20 10 HFCDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2cc(Br)ccc2O)C[C@@H](C)O1 ZINC000806355598 1079644421 /nfs/dbraw/zinc/64/44/21/1079644421.db2.gz XSFFBQQVWLHDRL-CHWSQXEVSA-N 1 1 414.344 2.842 20 10 HFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000806423599 1079668603 /nfs/dbraw/zinc/66/86/03/1079668603.db2.gz BPUBNERXPCJGQY-HSZRJFAPSA-N 1 1 422.573 2.882 20 10 HFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000806992424 1080171356 /nfs/dbraw/zinc/17/13/56/1080171356.db2.gz STKMLTWFFFOUNC-HZPDHXFCSA-N 1 1 402.322 2.876 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000807099357 1080279083 /nfs/dbraw/zinc/27/90/83/1080279083.db2.gz SUUOUEDMYVZQHM-AUSIDOKSSA-N 1 1 422.573 2.704 20 10 HFCDMO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807113373 1080291006 /nfs/dbraw/zinc/29/10/06/1080291006.db2.gz CXPTXQZOMVFYAO-MSYCTHLASA-N 1 1 422.573 2.957 20 10 HFCDMO C[C@H](CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000807291926 1080479316 /nfs/dbraw/zinc/47/93/16/1080479316.db2.gz JZMVMFVXGREDSF-HXUWFJFHSA-N 1 1 420.557 2.706 20 10 HFCDMO CC[C@@H](NC(=O)NCc1ccc(OC)cc1O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000792998786 1078044379 /nfs/dbraw/zinc/04/43/79/1078044379.db2.gz CFFOHGZNEPDDMW-IRLDBZIGSA-N 1 1 413.518 2.880 20 10 HFCDMO CC[C@@H](NC(=O)NCc1ccc(OC)cc1O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000792998786 1078044377 /nfs/dbraw/zinc/04/43/77/1078044377.db2.gz CFFOHGZNEPDDMW-IRLDBZIGSA-N 1 1 413.518 2.880 20 10 HFCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000793838006 1078311125 /nfs/dbraw/zinc/31/11/25/1078311125.db2.gz GKVXZYFQNRHKDA-UHFFFAOYSA-N 1 1 410.562 2.738 20 10 HFCDMO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793840038 1078311731 /nfs/dbraw/zinc/31/17/31/1078311731.db2.gz GTNXWVQBDBJEAH-QFIPXVFZSA-N 1 1 422.573 2.739 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000793930781 1078341506 /nfs/dbraw/zinc/34/15/06/1078341506.db2.gz LHKUXSFQXZAJLO-RXVVDRJESA-N 1 1 408.546 2.629 20 10 HFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000793915592 1078337034 /nfs/dbraw/zinc/33/70/34/1078337034.db2.gz ZMQGCNRVBIDYGV-GOSISDBHSA-N 1 1 402.583 2.728 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1F ZINC000804852287 1078722406 /nfs/dbraw/zinc/72/24/06/1078722406.db2.gz GECGZZBFOOIYCN-AEFFLSMTSA-N 1 1 406.546 2.619 20 10 HFCDMO C[NH+]1CCN(C(=O)CCSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)CC1 ZINC000804904375 1078759258 /nfs/dbraw/zinc/75/92/58/1078759258.db2.gz AVCPWQHQIYSTKC-IBGZPJMESA-N 1 1 414.575 2.985 20 10 HFCDMO CN(C)c1ccc(CN(C)C(=O)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000787628071 1076883213 /nfs/dbraw/zinc/88/32/13/1076883213.db2.gz TZPVAOPSLKJFRD-UHFFFAOYSA-N 1 1 422.573 2.664 20 10 HFCDMO CC[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)[N@H+]1CCc2ccccc2C1 ZINC000787630997 1076884110 /nfs/dbraw/zinc/88/41/10/1076884110.db2.gz GHFOFDJOAAYGDY-QFIPXVFZSA-N 1 1 422.573 2.630 20 10 HFCDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000787913591 1076992718 /nfs/dbraw/zinc/99/27/18/1076992718.db2.gz WBJKNVTZNYGUED-LJQANCHMSA-N 1 1 400.567 2.531 20 10 HFCDMO c1nnc([C@H](NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c2cccnc2)[nH]1 ZINC000788690457 1077251792 /nfs/dbraw/zinc/25/17/92/1077251792.db2.gz JOTXRCYQOQFCNZ-JOCHJYFZSA-N 1 1 403.534 2.611 20 10 HFCDMO COc1ccc(N2CCN(CCNC(=O)CC[N@@H+](C)C3CCCCC3)CC2)cc1 ZINC000791127315 1077295633 /nfs/dbraw/zinc/29/56/33/1077295633.db2.gz CWHVFAGWYSPAPY-UHFFFAOYSA-N 1 1 402.583 2.588 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)cc1 ZINC000788953322 1077360865 /nfs/dbraw/zinc/36/08/65/1077360865.db2.gz APRXFUYBZFABBB-UHFFFAOYSA-N 1 1 423.561 2.769 20 10 HFCDMO C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000789657556 1077723333 /nfs/dbraw/zinc/72/33/33/1077723333.db2.gz AJCSTXXASIJJMV-RXVVDRJESA-N 1 1 408.546 2.711 20 10 HFCDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)ccc1N1CCCCC1 ZINC000789772243 1077808052 /nfs/dbraw/zinc/80/80/52/1077808052.db2.gz XVKUKSQTYOVMND-GOSISDBHSA-N 1 1 422.551 2.585 20 10 HFCDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)ccc1N1CCCCC1 ZINC000789772243 1077808057 /nfs/dbraw/zinc/80/80/57/1077808057.db2.gz XVKUKSQTYOVMND-GOSISDBHSA-N 1 1 422.551 2.585 20 10 HFCDMO O=C([O-])C1([NH2+]Cc2ccc(N3CCOCC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000789904553 1077856388 /nfs/dbraw/zinc/85/63/88/1077856388.db2.gz XZRUEJKELIBSRM-UHFFFAOYSA-N 1 1 409.530 2.732 20 10 HFCDMO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000790292645 1077987600 /nfs/dbraw/zinc/98/76/00/1077987600.db2.gz QCEBDUBYMVBQRC-YADHBBJMSA-N 1 1 424.545 2.617 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCc4cc(C)ccc4C3)CC2)cc1 ZINC000790261491 1077988958 /nfs/dbraw/zinc/98/89/58/1077988958.db2.gz BIUPXBWGXUYDPG-UHFFFAOYSA-N 1 1 408.546 2.894 20 10 HFCDMO Cc1nn(C)c(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1Br ZINC000790468488 1078038489 /nfs/dbraw/zinc/03/84/89/1078038489.db2.gz SXGOIWOJAYSJJL-UHFFFAOYSA-N 1 1 407.356 2.990 20 10 HFCDMO O=C(NCCCSc1nccs1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000806277655 1079540380 /nfs/dbraw/zinc/54/03/80/1079540380.db2.gz HLPCOCQEEOWEEH-UHFFFAOYSA-N 1 1 424.636 2.856 20 10 HFCDMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCSc2nccs2)C[N@H+]1Cc1ccccc1 ZINC000806280045 1079542515 /nfs/dbraw/zinc/54/25/15/1079542515.db2.gz IJISUBUJVPQDFC-NVXWUHKLSA-N 1 1 418.588 2.521 20 10 HFCDMO Nc1nc(C2CC2)ncc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108601 1080286935 /nfs/dbraw/zinc/28/69/35/1080286935.db2.gz ZRHHKYJDXQMBNO-OAHLLOKOSA-N 1 1 401.898 2.690 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COC1CCN(c2ccc(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc2)CC1 ZINC001170452250 1078519816 /nfs/dbraw/zinc/51/98/16/1078519816.db2.gz UIGCAVMIYBEUBT-IBGZPJMESA-N 1 1 407.555 2.619 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1F ZINC000804852265 1078721921 /nfs/dbraw/zinc/72/19/21/1078721921.db2.gz FMDYHCWKSWACGP-IBGZPJMESA-N 1 1 420.573 2.772 20 10 HFCDMO CC1CCN(c2ccc(CNC(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000805019602 1078830274 /nfs/dbraw/zinc/83/02/74/1078830274.db2.gz HUQVLDGYWLJAAT-XDNSSPFJSA-N 1 1 412.578 2.671 20 10 HFCDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@H](C)C1 ZINC000805023398 1078834973 /nfs/dbraw/zinc/83/49/73/1078834973.db2.gz GVJPVWQSAFODDD-KNQAVFIVSA-N 1 1 414.594 2.728 20 10 HFCDMO CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)cc2)CC1 ZINC000805025660 1078837649 /nfs/dbraw/zinc/83/76/49/1078837649.db2.gz STSZLXFNHYYXDS-NRFANRHFSA-N 1 1 414.594 2.776 20 10 HFCDMO CC[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000787630494 1076884521 /nfs/dbraw/zinc/88/45/21/1076884521.db2.gz AZLVZCKEPMUBNJ-XMSQKQJNSA-N 1 1 422.573 2.883 20 10 HFCDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000787909028 1076991303 /nfs/dbraw/zinc/99/13/03/1076991303.db2.gz HHLNSEIPOKAYJQ-KDURUIRLSA-N 1 1 414.594 2.560 20 10 HFCDMO CC(C)[C@H](C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[NH+](C)C ZINC000787961556 1077009695 /nfs/dbraw/zinc/00/96/95/1077009695.db2.gz MENFKPICIYUATB-HXUWFJFHSA-N 1 1 408.454 2.530 20 10 HFCDMO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790961449 1077255219 /nfs/dbraw/zinc/25/52/19/1077255219.db2.gz FGRMLZLZBQPWDZ-UHFFFAOYSA-N 1 1 415.893 2.792 20 10 HFCDMO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000788934762 1077369218 /nfs/dbraw/zinc/36/92/18/1077369218.db2.gz ZBTJIAFFUCHNDE-QFIPXVFZSA-N 1 1 420.557 2.541 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000788976327 1077381147 /nfs/dbraw/zinc/38/11/47/1077381147.db2.gz XCRXYCFWKKLWIT-LJQANCHMSA-N 1 1 422.573 2.712 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000788976327 1077381153 /nfs/dbraw/zinc/38/11/53/1077381153.db2.gz XCRXYCFWKKLWIT-LJQANCHMSA-N 1 1 422.573 2.712 20 10 HFCDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000791578342 1077469024 /nfs/dbraw/zinc/46/90/24/1077469024.db2.gz JSKWPCHNDGEJJO-DZGCQCFKSA-N 1 1 403.420 2.551 20 10 HFCDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000791578342 1077469028 /nfs/dbraw/zinc/46/90/28/1077469028.db2.gz JSKWPCHNDGEJJO-DZGCQCFKSA-N 1 1 403.420 2.551 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cnc(CC(C)C)nc3)CC2)cc1 ZINC000791948977 1077612504 /nfs/dbraw/zinc/61/25/04/1077612504.db2.gz KGYLFINZIQZZPI-UHFFFAOYSA-N 1 1 412.538 2.627 20 10 HFCDMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCCSc2nccs2)CC1 ZINC000792165726 1077731894 /nfs/dbraw/zinc/73/18/94/1077731894.db2.gz PKEWENJWVPMBKK-UHFFFAOYSA-N 1 1 414.597 2.684 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=O)CC3CC(OC(C)(C)C)C3)CC2)cc1 ZINC000792591403 1077927429 /nfs/dbraw/zinc/92/74/29/1077927429.db2.gz GBSRVKYEFXEWAD-UHFFFAOYSA-N 1 1 403.567 2.917 20 10 HFCDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CCCCC[C@H]3CCO)cc2F)C[C@@H](C)O1 ZINC000792923625 1078026747 /nfs/dbraw/zinc/02/67/47/1078026747.db2.gz DZIJFAIJKMKJRZ-GGPKGHCWSA-N 1 1 421.557 2.683 20 10 HFCDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000790436436 1078030541 /nfs/dbraw/zinc/03/05/41/1078030541.db2.gz YLZLWLWGXZTUIO-GNBUJSLZSA-N 1 1 421.557 2.681 20 10 HFCDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000806254079 1079521903 /nfs/dbraw/zinc/52/19/03/1079521903.db2.gz QUPCJBBBHSKKOW-LJQANCHMSA-N 1 1 413.518 2.895 20 10 HFCDMO NC(=O)C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 ZINC000806553307 1079817389 /nfs/dbraw/zinc/81/73/89/1079817389.db2.gz MFBRPVILTOHLBO-HNAYVOBHSA-N 1 1 405.458 2.931 20 10 HFCDMO NC(=O)C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 ZINC000806553307 1079817397 /nfs/dbraw/zinc/81/73/97/1079817397.db2.gz MFBRPVILTOHLBO-HNAYVOBHSA-N 1 1 405.458 2.931 20 10 HFCDMO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000806788720 1080009607 /nfs/dbraw/zinc/00/96/07/1080009607.db2.gz HHXGCFBHVKPDON-UTKZUKDTSA-N 1 1 400.567 2.843 20 10 HFCDMO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000807546158 1080762123 /nfs/dbraw/zinc/76/21/23/1080762123.db2.gz QXODONYWZKBWKC-NQIIRXRSSA-N 1 1 409.530 2.768 20 10 HFCDMO C[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000807545702 1080762634 /nfs/dbraw/zinc/76/26/34/1080762634.db2.gz JNDCUDLCGVINFX-SPEDKVCISA-N 1 1 408.546 2.567 20 10 HFCDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000793206944 1078105729 /nfs/dbraw/zinc/10/57/29/1078105729.db2.gz DLUGVNMCMOSHDO-OAHLLOKOSA-N 1 1 408.506 2.550 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCc4cc(C)ccc4O3)CC2)cc1 ZINC000793245914 1078109205 /nfs/dbraw/zinc/10/92/05/1078109205.db2.gz DARUGPKZIYBWJL-QHCPKHFHSA-N 1 1 409.530 2.636 20 10 HFCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1COCCN1C1CCCC1 ZINC000793687760 1078257254 /nfs/dbraw/zinc/25/72/54/1078257254.db2.gz BPZRTKYWGXXPGN-ICSRJNTNSA-N 1 1 421.969 2.770 20 10 HFCDMO Cn1cc(C(=O)CCC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000793689081 1078257446 /nfs/dbraw/zinc/25/74/46/1078257446.db2.gz JBEDKHYXCJMEPF-QGZVFWFLSA-N 1 1 404.898 2.523 20 10 HFCDMO Cn1cc(C(=O)CCC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000793689081 1078257450 /nfs/dbraw/zinc/25/74/50/1078257450.db2.gz JBEDKHYXCJMEPF-QGZVFWFLSA-N 1 1 404.898 2.523 20 10 HFCDMO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793840035 1078311707 /nfs/dbraw/zinc/31/17/07/1078311707.db2.gz GTNXWVQBDBJEAH-JOCHJYFZSA-N 1 1 422.573 2.739 20 10 HFCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000793932035 1078341782 /nfs/dbraw/zinc/34/17/82/1078341782.db2.gz RJVBDPLUEAVUAU-PGRDOPGGSA-N 1 1 420.557 2.637 20 10 HFCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000793932434 1078341811 /nfs/dbraw/zinc/34/18/11/1078341811.db2.gz TZHDMYOXKJSGMB-SIKLNZKXSA-N 1 1 418.541 2.631 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1F ZINC000804852284 1078722511 /nfs/dbraw/zinc/72/25/11/1078722511.db2.gz GAXUJOYKEXQQDT-IRXDYDNUSA-N 1 1 406.546 2.525 20 10 HFCDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@@H](C)C1 ZINC000805023399 1078835514 /nfs/dbraw/zinc/83/55/14/1078835514.db2.gz GVJPVWQSAFODDD-SIKLNZKXSA-N 1 1 414.594 2.728 20 10 HFCDMO C[C@H](CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000805942227 1079345262 /nfs/dbraw/zinc/34/52/62/1079345262.db2.gz WHKOGWCTAFPELG-LJQANCHMSA-N 1 1 422.573 2.880 20 10 HFCDMO C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2Cl)C1 ZINC000806042848 1079411611 /nfs/dbraw/zinc/41/16/11/1079411611.db2.gz VFLHOQJGAGBSNI-SOLBZPMBSA-N 1 1 420.985 2.791 20 10 HFCDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000787319674 1076762224 /nfs/dbraw/zinc/76/22/24/1076762224.db2.gz OBSUSBGZFSRMRX-QGZVFWFLSA-N 1 1 417.447 2.941 20 10 HFCDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000787319674 1076762231 /nfs/dbraw/zinc/76/22/31/1076762231.db2.gz OBSUSBGZFSRMRX-QGZVFWFLSA-N 1 1 417.447 2.941 20 10 HFCDMO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000787640946 1076892925 /nfs/dbraw/zinc/89/29/25/1076892925.db2.gz RWCFUXYOJFUVRR-HXUWFJFHSA-N 1 1 416.591 2.972 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000787651419 1076897758 /nfs/dbraw/zinc/89/77/58/1076897758.db2.gz GUCUOXBOPMBNCG-IBGZPJMESA-N 1 1 402.564 2.630 20 10 HFCDMO CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC000788565449 1077208173 /nfs/dbraw/zinc/20/81/73/1077208173.db2.gz VOODJPXOGUGUEW-DENIHFKCSA-N 1 1 412.578 2.815 20 10 HFCDMO O=C(c1ccccc1)N1C[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)N2CC[C@H]1C2 ZINC000790982640 1077269305 /nfs/dbraw/zinc/26/93/05/1077269305.db2.gz VZDKNLLREVRRKD-JKSUJKDBSA-N 1 1 403.885 2.873 20 10 HFCDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000788929465 1077339499 /nfs/dbraw/zinc/33/94/99/1077339499.db2.gz JPENYYHGLGCBEB-KNQAVFIVSA-N 1 1 420.557 2.682 20 10 HFCDMO C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000788931046 1077341471 /nfs/dbraw/zinc/34/14/71/1077341471.db2.gz DCCOMMRMOZUEKO-AZUAARDMSA-N 1 1 412.578 2.672 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000788953824 1077361689 /nfs/dbraw/zinc/36/16/89/1077361689.db2.gz FSKVGHOXMJKYRN-HXUWFJFHSA-N 1 1 402.583 2.633 20 10 HFCDMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000792057433 1077663442 /nfs/dbraw/zinc/66/34/42/1077663442.db2.gz NHHNYTAIGAQXGU-UHFFFAOYSA-N 1 1 416.566 2.846 20 10 HFCDMO CS(=O)(=O)N(CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Cc1ccccc1 ZINC000792249605 1077764820 /nfs/dbraw/zinc/76/48/20/1077764820.db2.gz MQXHMKPPNIYLNH-NRFANRHFSA-N 1 1 418.559 2.835 20 10 HFCDMO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000790292631 1077987470 /nfs/dbraw/zinc/98/74/70/1077987470.db2.gz QCEBDUBYMVBQRC-FCHUYYIVSA-N 1 1 424.545 2.617 20 10 HFCDMO CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1)C1CCCCC1 ZINC000790273800 1077993121 /nfs/dbraw/zinc/99/31/21/1077993121.db2.gz HWQAXYQZGSIHNK-FGZHOGPDSA-N 1 1 412.578 2.815 20 10 HFCDMO COc1ccc(CNC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c(O)c1 ZINC000792828918 1078007000 /nfs/dbraw/zinc/00/70/00/1078007000.db2.gz LDZLZZNJCPBURP-NRFANRHFSA-N 1 1 412.534 2.579 20 10 HFCDMO COc1ccc(CNC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c(O)c1 ZINC000792828918 1078007008 /nfs/dbraw/zinc/00/70/08/1078007008.db2.gz LDZLZZNJCPBURP-NRFANRHFSA-N 1 1 412.534 2.579 20 10 HFCDMO COc1ccc(CNC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c(O)c1 ZINC000792828918 1078007012 /nfs/dbraw/zinc/00/70/12/1078007012.db2.gz LDZLZZNJCPBURP-NRFANRHFSA-N 1 1 412.534 2.579 20 10 HFCDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806277335 1079540883 /nfs/dbraw/zinc/54/08/83/1079540883.db2.gz YMDJBPVGHSMRDK-IAGOWNOFSA-N 1 1 424.636 2.855 20 10 HFCDMO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000806425859 1079671127 /nfs/dbraw/zinc/67/11/27/1079671127.db2.gz QWWJOTZEMTYMBS-GCJKJVERSA-N 1 1 408.546 2.711 20 10 HFCDMO CCN1CCN(c2ccc(CNC(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C)cc2F)CC1 ZINC000806749581 1080003947 /nfs/dbraw/zinc/00/39/47/1080003947.db2.gz CKKXSTPUMHBJRV-UYAOXDASSA-N 1 1 417.573 2.736 20 10 HFCDMO C[C@@H](CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000807291925 1080479332 /nfs/dbraw/zinc/47/93/32/1080479332.db2.gz JZMVMFVXGREDSF-FQEVSTJZSA-N 1 1 420.557 2.706 20 10 HFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000807546668 1080764060 /nfs/dbraw/zinc/76/40/60/1080764060.db2.gz QJFPTNNQTJRKCV-CVDCTZTESA-N 1 1 422.573 2.738 20 10 HFCDMO C[N@@H+]1CCN(Cc2cc(Br)ccc2O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604928 1078222614 /nfs/dbraw/zinc/22/26/14/1078222614.db2.gz SLZPBNRNOJPUIX-OAHLLOKOSA-N 1 1 414.344 2.795 20 10 HFCDMO C[N@H+]1CCN(Cc2cc(Br)ccc2O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604928 1078222616 /nfs/dbraw/zinc/22/26/16/1078222616.db2.gz SLZPBNRNOJPUIX-OAHLLOKOSA-N 1 1 414.344 2.795 20 10 HFCDMO O=C(/C=C\c1ccc(O)c(O)c1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446620 1078513866 /nfs/dbraw/zinc/51/38/66/1078513866.db2.gz LVQPOVKNKDESHK-RVFJIUOTSA-N 1 1 407.514 2.530 20 10 HFCDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000804968341 1078804368 /nfs/dbraw/zinc/80/43/68/1078804368.db2.gz BBCOOKFTJLZUPR-UHFFFAOYSA-N 1 1 418.513 2.919 20 10 HFCDMO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000805195957 1078969906 /nfs/dbraw/zinc/96/99/06/1078969906.db2.gz HOLAUVAFDFQVSU-RUZDIDTESA-N 1 1 422.573 2.882 20 10 HFCDMO CCOC(=O)C[C@@H](OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(C)=O ZINC000805540957 1079130545 /nfs/dbraw/zinc/13/05/45/1079130545.db2.gz OGAAFWXDKIBRQN-OAQYLSRUSA-N 1 1 414.502 2.862 20 10 HFCDMO CCOC(=O)C[C@@H](OC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(C)=O ZINC000805540957 1079130552 /nfs/dbraw/zinc/13/05/52/1079130552.db2.gz OGAAFWXDKIBRQN-OAQYLSRUSA-N 1 1 414.502 2.862 20 10 HFCDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000805636480 1079189607 /nfs/dbraw/zinc/18/96/07/1079189607.db2.gz RTVVFUBMNNQWEZ-GOSISDBHSA-N 1 1 414.594 2.702 20 10 HFCDMO CN1CCCc2cc(CNC(=O)Nc3cccc(C[N@@H+]4CCC[C@H]4C(N)=O)c3)ccc21 ZINC000746706813 1076939637 /nfs/dbraw/zinc/93/96/37/1076939637.db2.gz YXNOEPXEFSLGAL-QFIPXVFZSA-N 1 1 421.545 2.840 20 10 HFCDMO CN1CCCc2cc(CNC(=O)Nc3cccc(C[N@H+]4CCC[C@H]4C(N)=O)c3)ccc21 ZINC000746706813 1076939642 /nfs/dbraw/zinc/93/96/42/1076939642.db2.gz YXNOEPXEFSLGAL-QFIPXVFZSA-N 1 1 421.545 2.840 20 10 HFCDMO COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1I ZINC001206035678 1077114411 /nfs/dbraw/zinc/11/44/11/1077114411.db2.gz CRLBVHSLLUYMCZ-RYUDHWBXSA-N 1 1 404.292 2.812 20 10 HFCDMO COc1cc([O-])c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1I ZINC001206035678 1077114414 /nfs/dbraw/zinc/11/44/14/1077114414.db2.gz CRLBVHSLLUYMCZ-RYUDHWBXSA-N 1 1 404.292 2.812 20 10 HFCDMO C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000788931047 1077341526 /nfs/dbraw/zinc/34/15/26/1077341526.db2.gz DCCOMMRMOZUEKO-ICSRJNTNSA-N 1 1 412.578 2.672 20 10 HFCDMO Cc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(N2CCCC2)[nH+]1 ZINC000788934107 1077368629 /nfs/dbraw/zinc/36/86/29/1077368629.db2.gz SMYDDDCUUDWCOI-UHFFFAOYSA-N 1 1 421.545 2.523 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000788975455 1077380837 /nfs/dbraw/zinc/38/08/37/1077380837.db2.gz OUAZHGPEJIRAFQ-AZUAARDMSA-N 1 1 414.594 2.918 20 10 HFCDMO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000789651249 1077719316 /nfs/dbraw/zinc/71/93/16/1077719316.db2.gz FJLLGTHVQLUBJD-NRFANRHFSA-N 1 1 409.530 2.912 20 10 HFCDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789902316 1077856341 /nfs/dbraw/zinc/85/63/41/1077856341.db2.gz ACTBDECKAABNJE-JOCHJYFZSA-N 1 1 408.546 2.939 20 10 HFCDMO CC1CCN(c2ccc(CNC(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)cc2)CC1 ZINC000780429230 1077927750 /nfs/dbraw/zinc/92/77/50/1077927750.db2.gz YTVIPRRAXMXTIV-LJQANCHMSA-N 1 1 402.583 2.910 20 10 HFCDMO COCCN(C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1)[C@H]1CC[C@@H](C)C1 ZINC000790263884 1077989637 /nfs/dbraw/zinc/98/96/37/1077989637.db2.gz QPMFYVMDJCBGPZ-CTNGQTDRSA-N 1 1 418.582 2.664 20 10 HFCDMO CN(c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1)C1CCCCC1 ZINC000790273801 1077993163 /nfs/dbraw/zinc/99/31/63/1077993163.db2.gz HWQAXYQZGSIHNK-VXKWHMMOSA-N 1 1 412.578 2.815 20 10 HFCDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)NCc2ccc(OC)cc2O)CC1 ZINC000792826287 1078006483 /nfs/dbraw/zinc/00/64/83/1078006483.db2.gz GIVFWLDZNGSMOC-UHFFFAOYSA-N 1 1 412.534 2.538 20 10 HFCDMO O=C(NCC[N@@H+]1CC=CCC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000792866225 1078011408 /nfs/dbraw/zinc/01/14/08/1078011408.db2.gz ZMZZILWJRRPFRG-UHFFFAOYSA-N 1 1 412.456 2.603 20 10 HFCDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CCCCC[C@H]3CCO)cc2F)C[C@H](C)O1 ZINC000792923629 1078026845 /nfs/dbraw/zinc/02/68/45/1078026845.db2.gz DZIJFAIJKMKJRZ-NSHGMRRFSA-N 1 1 421.557 2.683 20 10 HFCDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CCC[C@@H]3[C@@H]3CCCO3)cc2F)C[C@H](C)O1 ZINC000792924120 1078027280 /nfs/dbraw/zinc/02/72/80/1078027280.db2.gz HVQOMLATOXBCMJ-XQTRSNPVSA-N 1 1 419.541 2.699 20 10 HFCDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000806355597 1079644515 /nfs/dbraw/zinc/64/45/15/1079644515.db2.gz XSFFBQQVWLHDRL-BETUJISGSA-N 1 1 414.344 2.842 20 10 HFCDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000806355597 1079644518 /nfs/dbraw/zinc/64/45/18/1079644518.db2.gz XSFFBQQVWLHDRL-BETUJISGSA-N 1 1 414.344 2.842 20 10 HFCDMO C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000806425860 1079671237 /nfs/dbraw/zinc/67/12/37/1079671237.db2.gz QWWJOTZEMTYMBS-PGRDOPGGSA-N 1 1 408.546 2.711 20 10 HFCDMO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000806749841 1079965373 /nfs/dbraw/zinc/96/53/73/1079965373.db2.gz GHNYINDSHKUBCJ-IBGZPJMESA-N 1 1 405.562 2.641 20 10 HFCDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000806749841 1079965377 /nfs/dbraw/zinc/96/53/77/1079965377.db2.gz GHNYINDSHKUBCJ-IBGZPJMESA-N 1 1 405.562 2.641 20 10 HFCDMO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000806787856 1080010098 /nfs/dbraw/zinc/01/00/98/1080010098.db2.gz NTFYRDPKOLTTSY-OAQYLSRUSA-N 1 1 400.567 2.624 20 10 HFCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000806992423 1080171366 /nfs/dbraw/zinc/17/13/66/1080171366.db2.gz STKMLTWFFFOUNC-HOTGVXAUSA-N 1 1 402.322 2.876 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000807096968 1080274698 /nfs/dbraw/zinc/27/46/98/1080274698.db2.gz MHYYVLZYBDQVDH-UXHICEINSA-N 1 1 414.594 2.790 20 10 HFCDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000807099112 1080279459 /nfs/dbraw/zinc/27/94/59/1080279459.db2.gz KDWSVBZVYJHGHI-UHFFFAOYSA-N 1 1 422.573 2.720 20 10 HFCDMO C[C@@H](OCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1nccn1C ZINC000807107165 1080285903 /nfs/dbraw/zinc/28/59/03/1080285903.db2.gz GEDIJCCVEAYXDS-PBHICJAKSA-N 1 1 406.914 2.638 20 10 HFCDMO C[C@H](OCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1nccn1C ZINC000807107169 1080286443 /nfs/dbraw/zinc/28/64/43/1080286443.db2.gz GEDIJCCVEAYXDS-YOEHRIQHSA-N 1 1 406.914 2.638 20 10 HFCDMO COc1cc(N2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)cc(OC)c1OC ZINC000807246897 1080402536 /nfs/dbraw/zinc/40/25/36/1080402536.db2.gz RHYMSIVETOFXBL-KRWDZBQOSA-N 1 1 405.539 2.626 20 10 HFCDMO CCCCN(Cc1ccccc1O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000807514499 1080722204 /nfs/dbraw/zinc/72/22/04/1080722204.db2.gz VQKLXMPYZIHUKQ-IHWFROFDSA-N 1 1 416.566 2.788 20 10 HFCDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000793901248 1078332743 /nfs/dbraw/zinc/33/27/43/1078332743.db2.gz LULMZICZZDWYSW-WOJBJXKFSA-N 1 1 414.594 2.776 20 10 HFCDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000793904370 1078333509 /nfs/dbraw/zinc/33/35/09/1078333509.db2.gz XJMAKTBNPWVTFH-UXHICEINSA-N 1 1 414.594 2.872 20 10 HFCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000793932392 1078341462 /nfs/dbraw/zinc/34/14/62/1078341462.db2.gz SMCPEFQKZSNWTH-GHTZIAJQSA-N 1 1 408.546 2.663 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000793930782 1078341537 /nfs/dbraw/zinc/34/15/37/1078341537.db2.gz LHKUXSFQXZAJLO-WIYYLYMNSA-N 1 1 408.546 2.629 20 10 HFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000793915593 1078337071 /nfs/dbraw/zinc/33/70/71/1078337071.db2.gz ZMQGCNRVBIDYGV-SFHVURJKSA-N 1 1 402.583 2.728 20 10 HFCDMO C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[N@@H+](C)C1CC1 ZINC000804430190 1078474958 /nfs/dbraw/zinc/47/49/58/1078474958.db2.gz WYHVGHUJMSNWBV-HZPDHXFCSA-N 1 1 420.985 2.791 20 10 HFCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000804820134 1078661573 /nfs/dbraw/zinc/66/15/73/1078661573.db2.gz CNEMIOINCPKRTI-UHFFFAOYSA-N 1 1 400.567 2.626 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000804644239 1078698266 /nfs/dbraw/zinc/69/82/66/1078698266.db2.gz ZPCMZWKXIVGENP-KNQAVFIVSA-N 1 1 422.573 2.847 20 10 HFCDMO C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000805025673 1078837984 /nfs/dbraw/zinc/83/79/84/1078837984.db2.gz TUTSUYKUGUKJJY-VQTJNVASSA-N 1 1 414.594 2.776 20 10 HFCDMO O=C(NCc1cc(Br)ccc1O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000805208753 1078987374 /nfs/dbraw/zinc/98/73/74/1078987374.db2.gz GROIREQHZLRZTF-HOTGVXAUSA-N 1 1 412.328 2.597 20 10 HFCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]2C)C1 ZINC001130210732 1079088206 /nfs/dbraw/zinc/08/82/06/1079088206.db2.gz XYKZBSIFOPIIGQ-OKZBNKHCSA-N 1 1 410.562 2.874 20 10 HFCDMO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000805773950 1079247515 /nfs/dbraw/zinc/24/75/15/1079247515.db2.gz XNWXAGPULSKUCS-FQEVSTJZSA-N 1 1 404.555 2.702 20 10 HFCDMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000805773950 1079247520 /nfs/dbraw/zinc/24/75/20/1079247520.db2.gz 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CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000805760849 1079263178 /nfs/dbraw/zinc/26/31/78/1079263178.db2.gz LLLXOJQJHORMLE-HXUWFJFHSA-N 1 1 404.555 2.654 20 10 HFCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H](C(F)(F)F)C3(C)C)CC2)cc1 ZINC000787318033 1076760496 /nfs/dbraw/zinc/76/04/96/1076760496.db2.gz BSACBLWSSRHGGK-HKUYNNGSSA-N 1 1 415.500 2.841 20 10 HFCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H](C(F)(F)F)C3(C)C)CC2)cc1 ZINC000787318044 1076760517 /nfs/dbraw/zinc/76/05/17/1076760517.db2.gz BSACBLWSSRHGGK-PKOBYXMFSA-N 1 1 415.500 2.841 20 10 HFCDMO CC[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000787630492 1076884406 /nfs/dbraw/zinc/88/44/06/1076884406.db2.gz AZLVZCKEPMUBNJ-GCJKJVERSA-N 1 1 422.573 2.883 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000787651422 1076897775 /nfs/dbraw/zinc/89/77/75/1076897775.db2.gz GUCUOXBOPMBNCG-LJQANCHMSA-N 1 1 402.564 2.630 20 10 HFCDMO 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/nfs/dbraw/zinc/73/76/82/1077737682.db2.gz GELQCNZVWWUTOS-KRWDZBQOSA-N 1 1 418.559 2.776 20 10 HFCDMO CN(C)c1ccc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000792780432 1077999476 /nfs/dbraw/zinc/99/94/76/1077999476.db2.gz PJXAHGURNJCQOB-UHFFFAOYSA-N 1 1 412.500 2.902 20 10 HFCDMO CCN1CC[NH+](Cc2ccc(CNC(=O)NCc3ccc(OC)cc3O)cc2)CC1 ZINC000792826180 1078006505 /nfs/dbraw/zinc/00/65/05/1078006505.db2.gz DJILNGMWSCEGHO-UHFFFAOYSA-N 1 1 412.534 2.538 20 10 HFCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCN1c1nccn2cnnc12 ZINC000792844690 1078013301 /nfs/dbraw/zinc/01/33/01/1078013301.db2.gz XJTMNAAMFMOUHI-CQSZACIVSA-N 1 1 419.455 2.920 20 10 HFCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCN1c1nccn2cnnc12 ZINC000792844690 1078013305 /nfs/dbraw/zinc/01/33/05/1078013305.db2.gz XJTMNAAMFMOUHI-CQSZACIVSA-N 1 1 419.455 2.920 20 10 HFCDMO Cc1nc(CS(=O)(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cs1 ZINC000790395121 1078014092 /nfs/dbraw/zinc/01/40/92/1078014092.db2.gz 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ZINC000806253945 1079522746 /nfs/dbraw/zinc/52/27/46/1079522746.db2.gz YCCIBQNMZHHGEY-FQEVSTJZSA-N 1 1 402.583 2.872 20 10 HFCDMO Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806280066 1079542559 /nfs/dbraw/zinc/54/25/59/1079542559.db2.gz IVERNXJDVNBNII-UHFFFAOYSA-N 1 1 420.560 2.515 20 10 HFCDMO C[N@@H+]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H]1Cc1ccccc1 ZINC000806513031 1079788436 /nfs/dbraw/zinc/78/84/36/1079788436.db2.gz XQLPDBHOGCGAEF-HSZRJFAPSA-N 1 1 408.546 2.592 20 10 HFCDMO C[N@H+]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H]1Cc1ccccc1 ZINC000806513031 1079788446 /nfs/dbraw/zinc/78/84/46/1079788446.db2.gz XQLPDBHOGCGAEF-HSZRJFAPSA-N 1 1 408.546 2.592 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=O)NC(C)(C)c3c(C)noc3C)CC2)cc1 ZINC000806620428 1079859678 /nfs/dbraw/zinc/85/96/78/1079859678.db2.gz WESKOQRUKOTXCZ-UHFFFAOYSA-N 1 1 415.538 2.657 20 10 HFCDMO CCN1CCN(c2ccc(CNC(=O)N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)cc2F)CC1 ZINC000806749580 1080003862 /nfs/dbraw/zinc/00/38/62/1080003862.db2.gz 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ORKFLTUYADARDZ-CEXWTWQISA-N 1 1 414.594 2.726 20 10 HFCDMO O=C(/C=C\c1ccc(O)c(O)c1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446622 1078513670 /nfs/dbraw/zinc/51/36/70/1078513670.db2.gz LVQPOVKNKDESHK-XYBJCVHJSA-N 1 1 407.514 2.530 20 10 HFCDMO O=C(NCc1cc(Br)ccc1O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000804739258 1078597570 /nfs/dbraw/zinc/59/75/70/1078597570.db2.gz CPOONNPDOMDUHU-LJQANCHMSA-N 1 1 419.319 2.969 20 10 HFCDMO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805134974 1078931523 /nfs/dbraw/zinc/93/15/23/1078931523.db2.gz LXLBWTRCMJMPFL-UHFFFAOYSA-N 1 1 421.350 2.552 20 10 HFCDMO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC001130098604 1078949035 /nfs/dbraw/zinc/94/90/35/1078949035.db2.gz ORSRQWDWCLQMDN-CYBMUJFWSA-N 1 1 407.426 2.536 20 10 HFCDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC001130098604 1078949040 /nfs/dbraw/zinc/94/90/40/1078949040.db2.gz ORSRQWDWCLQMDN-CYBMUJFWSA-N 1 1 407.426 2.536 20 10 HFCDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000805637710 1079191641 /nfs/dbraw/zinc/19/16/41/1079191641.db2.gz YOTLFFBMSCNVFO-GOSISDBHSA-N 1 1 402.583 2.728 20 10 HFCDMO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+]3CCC[C@@H](CC(N)=O)C3)c2C)cc1 ZINC000746673496 1076745732 /nfs/dbraw/zinc/74/57/32/1076745732.db2.gz CDWLJARJHKAXHH-KRWDZBQOSA-N 1 1 411.502 2.651 20 10 HFCDMO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+]3CCC[C@@H](CC(N)=O)C3)c2C)cc1 ZINC000746673496 1076745740 /nfs/dbraw/zinc/74/57/40/1076745740.db2.gz CDWLJARJHKAXHH-KRWDZBQOSA-N 1 1 411.502 2.651 20 10 HFCDMO CN(C)c1ccc(CNC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1F ZINC000746707799 1076942049 /nfs/dbraw/zinc/94/20/49/1076942049.db2.gz HYJFJRZAKWAARY-FQEVSTJZSA-N 1 1 413.497 2.663 20 10 HFCDMO CN(C)c1ccc(CNC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1F ZINC000746707799 1076942053 /nfs/dbraw/zinc/94/20/53/1076942053.db2.gz HYJFJRZAKWAARY-FQEVSTJZSA-N 1 1 413.497 2.663 20 10 HFCDMO C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000787908843 1076991257 /nfs/dbraw/zinc/99/12/57/1076991257.db2.gz GYKLDWDEHZCUAK-OTWHNJEPSA-N 1 1 402.583 2.804 20 10 HFCDMO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000788583112 1077212248 /nfs/dbraw/zinc/21/22/48/1077212248.db2.gz JKRWTJYIGKVRBJ-TZIWHRDSSA-N 1 1 424.545 2.617 20 10 HFCDMO CN(c1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1)C1CCCCC1 ZINC000788793704 1077290123 /nfs/dbraw/zinc/29/01/23/1077290123.db2.gz CRSZIVOTTSBLTB-LJQANCHMSA-N 1 1 412.578 2.672 20 10 HFCDMO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000788939448 1077371066 /nfs/dbraw/zinc/37/10/66/1077371066.db2.gz ULFIUEGJXYNTKT-UHFFFAOYSA-N 1 1 420.557 2.638 20 10 HFCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001170105179 1077549453 /nfs/dbraw/zinc/54/94/53/1077549453.db2.gz NOOFJZURGPDEJW-UHFFFAOYSA-N 1 1 416.566 2.844 20 10 HFCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001170105179 1077549456 /nfs/dbraw/zinc/54/94/56/1077549456.db2.gz NOOFJZURGPDEJW-UHFFFAOYSA-N 1 1 416.566 2.844 20 10 HFCDMO CC1CCN(c2ccc(CNC(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)cc2)CC1 ZINC000780429229 1077927728 /nfs/dbraw/zinc/92/77/28/1077927728.db2.gz YTVIPRRAXMXTIV-IBGZPJMESA-N 1 1 402.583 2.910 20 10 HFCDMO O=S(=O)(CCC(F)(F)F)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000790217702 1077972482 /nfs/dbraw/zinc/97/24/82/1077972482.db2.gz RLNSEAMGHORFGD-CYBMUJFWSA-N 1 1 400.850 2.882 20 10 HFCDMO O=S(=O)(CCC(F)(F)F)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000790217702 1077972485 /nfs/dbraw/zinc/97/24/85/1077972485.db2.gz RLNSEAMGHORFGD-CYBMUJFWSA-N 1 1 400.850 2.882 20 10 HFCDMO C[C@H]1C[C@H](NC(=O)C(=O)NCCCSc2nccs2)C[N@H+]1Cc1ccccc1 ZINC000806280046 1079542467 /nfs/dbraw/zinc/54/24/67/1079542467.db2.gz IJISUBUJVPQDFC-RDJZCZTQSA-N 1 1 418.588 2.521 20 10 HFCDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000806253107 1079549010 /nfs/dbraw/zinc/54/90/10/1079549010.db2.gz ADCOAROABBACTM-HXUWFJFHSA-N 1 1 402.583 2.870 20 10 HFCDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000806425878 1079671083 /nfs/dbraw/zinc/67/10/83/1079671083.db2.gz RISAQEAKXMQLLZ-NRFANRHFSA-N 1 1 409.530 2.912 20 10 HFCDMO CCCN(CC[NH+]1CCCC1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000806750760 1079967337 /nfs/dbraw/zinc/96/73/37/1079967337.db2.gz YFTZWIUZZTXMEU-UHFFFAOYSA-N 1 1 419.589 2.985 20 10 HFCDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000807286804 1080449542 /nfs/dbraw/zinc/44/95/42/1080449542.db2.gz AJGQFSZENVJWKU-RBBKRZOGSA-N 1 1 424.589 2.792 20 10 HFCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC(C)(C)[C@@H]3c3cccnc3)CC2)cc1 ZINC000793000142 1078044807 /nfs/dbraw/zinc/04/48/07/1078044807.db2.gz TYJBFQPCGVJWSG-GMAHTHKFSA-N 1 1 410.562 2.656 20 10 HFCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC(C)(C)[C@@H]3c3cccnc3)CC2)cc1 ZINC000793000142 1078044812 /nfs/dbraw/zinc/04/48/12/1078044812.db2.gz TYJBFQPCGVJWSG-GMAHTHKFSA-N 1 1 410.562 2.656 20 10 HFCDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000790539791 1078046122 /nfs/dbraw/zinc/04/61/22/1078046122.db2.gz USHXMGYERDYCAQ-FQEVSTJZSA-N 1 1 406.546 2.706 20 10 HFCDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000793904367 1078333474 /nfs/dbraw/zinc/33/34/74/1078333474.db2.gz XJMAKTBNPWVTFH-PMACEKPBSA-N 1 1 414.594 2.872 20 10 HFCDMO C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000793916108 1078337426 /nfs/dbraw/zinc/33/74/26/1078337426.db2.gz XBPNRIHQNKEDRV-FGTMMUONSA-N 1 1 402.583 2.803 20 10 HFCDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000793916031 1078337474 /nfs/dbraw/zinc/33/74/74/1078337474.db2.gz VHSPGQQZOYWVAH-GASCZTMLSA-N 1 1 412.625 2.614 20 10 HFCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000793932393 1078341860 /nfs/dbraw/zinc/34/18/60/1078341860.db2.gz SMCPEFQKZSNWTH-NQIIRXRSSA-N 1 1 408.546 2.663 20 10 HFCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000793928420 1078340298 /nfs/dbraw/zinc/34/02/98/1078340298.db2.gz BKZOTGKRFFUMPO-UEXGIBASSA-N 1 1 408.546 2.882 20 10 HFCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000793933229 1078342151 /nfs/dbraw/zinc/34/21/51/1078342151.db2.gz ZLNJTCRQQFZKPE-DOTOQJQBSA-N 1 1 418.588 2.693 20 10 HFCDMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCc1cc(Br)ccc1O ZINC000804735421 1078593573 /nfs/dbraw/zinc/59/35/73/1078593573.db2.gz YJIAJLPTVRFMGC-UHFFFAOYSA-N 1 1 418.335 2.589 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](C)c3c(F)cncc3F)CC2)cc1 ZINC000805014100 1078825585 /nfs/dbraw/zinc/82/55/85/1078825585.db2.gz PPRBJAJUJVBKSV-HNNXBMFYSA-N 1 1 419.476 2.551 20 10 HFCDMO CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)cc2)CC1 ZINC000805026268 1078839331 /nfs/dbraw/zinc/83/93/31/1078839331.db2.gz 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ZINC000787629369 1076883182 /nfs/dbraw/zinc/88/31/82/1076883182.db2.gz ZGPGFISLTWMDLL-UHFFFAOYSA-N 1 1 422.573 2.666 20 10 HFCDMO CC[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000787630493 1076884463 /nfs/dbraw/zinc/88/44/63/1076884463.db2.gz AZLVZCKEPMUBNJ-PGRDOPGGSA-N 1 1 422.573 2.883 20 10 HFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000787909285 1076990954 /nfs/dbraw/zinc/99/09/54/1076990954.db2.gz MFMXJYQEEFFQLU-LJQANCHMSA-N 1 1 402.583 2.729 20 10 HFCDMO O=S(=O)(N1CCC(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1)C(F)(F)F ZINC000790962882 1077255990 /nfs/dbraw/zinc/25/59/90/1077255990.db2.gz TWJFLLHJTIHSMK-UHFFFAOYSA-N 1 1 404.813 2.836 20 10 HFCDMO C[N@@H+](CCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCCC1 ZINC000791127921 1077296429 /nfs/dbraw/zinc/29/64/29/1077296429.db2.gz KFDAKUCARFNYII-IBGZPJMESA-N 1 1 400.567 2.659 20 10 HFCDMO Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000788930201 1077340658 /nfs/dbraw/zinc/34/06/58/1077340658.db2.gz OXXBHTKCWBUZNL-UHFFFAOYSA-N 1 1 422.529 2.676 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000788949925 1077359556 /nfs/dbraw/zinc/35/95/56/1077359556.db2.gz BGVGATIXZICXQV-QFIPXVFZSA-N 1 1 422.573 2.930 20 10 HFCDMO Cc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)[NH+]2CCCC2)o1 ZINC000788933222 1077367685 /nfs/dbraw/zinc/36/76/85/1077367685.db2.gz UDTMWKFSEPBSMW-NRFANRHFSA-N 1 1 424.545 2.758 20 10 HFCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788935794 1077370086 /nfs/dbraw/zinc/37/00/86/1077370086.db2.gz FSDVRMBASFBIMC-DENIHFKCSA-N 1 1 420.557 2.855 20 10 HFCDMO Cc1nc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)sc1C ZINC000789766140 1077768210 /nfs/dbraw/zinc/76/82/10/1077768210.db2.gz VMJJGMCKWSACAF-OAHLLOKOSA-N 1 1 422.938 2.838 20 10 HFCDMO Cc1nc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)sc1C ZINC000789766140 1077768214 /nfs/dbraw/zinc/76/82/14/1077768214.db2.gz VMJJGMCKWSACAF-OAHLLOKOSA-N 1 1 422.938 2.838 20 10 HFCDMO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000747077015 1077881866 /nfs/dbraw/zinc/88/18/66/1077881866.db2.gz CMPZARMSMAZTPW-SFHVURJKSA-N 1 1 417.550 2.734 20 10 HFCDMO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000790292636 1077987482 /nfs/dbraw/zinc/98/74/82/1077987482.db2.gz QCEBDUBYMVBQRC-FGZHOGPDSA-N 1 1 424.545 2.617 20 10 HFCDMO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCN1c1nccn2cnnc12 ZINC000792844687 1078013258 /nfs/dbraw/zinc/01/32/58/1078013258.db2.gz XJTMNAAMFMOUHI-AWEZNQCLSA-N 1 1 419.455 2.920 20 10 HFCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCN1c1nccn2cnnc12 ZINC000792844687 1078013263 /nfs/dbraw/zinc/01/32/63/1078013263.db2.gz XJTMNAAMFMOUHI-AWEZNQCLSA-N 1 1 419.455 2.920 20 10 HFCDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CC[C@@]4(C3)CCCOC4)cc2F)C[C@H](C)O1 ZINC000792940756 1078022422 /nfs/dbraw/zinc/02/24/22/1078022422.db2.gz PVQKZZYOYWJINU-IEGUWTFLSA-N 1 1 419.541 2.558 20 10 HFCDMO CCN1CCN(c2ccc(CNC(=O)N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)cc2F)CC1 ZINC000806750599 1079964851 /nfs/dbraw/zinc/96/48/51/1079964851.db2.gz WCONNOACUKWLDY-RXVVDRJESA-N 1 1 417.573 2.736 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000807099420 1080278985 /nfs/dbraw/zinc/27/89/85/1080278985.db2.gz VBPUSBGROIAERX-FQEVSTJZSA-N 1 1 422.573 2.800 20 10 HFCDMO Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000747388363 1080502301 /nfs/dbraw/zinc/50/23/01/1080502301.db2.gz KJUPXLVOOGZAJH-UHFFFAOYSA-N 1 1 403.502 2.523 20 10 HFCDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000790544655 1078060013 /nfs/dbraw/zinc/06/00/13/1078060013.db2.gz XYHKULDQYZEDIH-NRFANRHFSA-N 1 1 402.583 2.815 20 10 HFCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1COCCN1C1CCCC1 ZINC000793687762 1078257105 /nfs/dbraw/zinc/25/71/05/1078257105.db2.gz BPZRTKYWGXXPGN-QUCCMNQESA-N 1 1 421.969 2.770 20 10 HFCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000793932395 1078341733 /nfs/dbraw/zinc/34/17/33/1078341733.db2.gz SMCPEFQKZSNWTH-WIYYLYMNSA-N 1 1 408.546 2.663 20 10 HFCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000793933231 1078342237 /nfs/dbraw/zinc/34/22/37/1078342237.db2.gz ZLNJTCRQQFZKPE-NVXWUHKLSA-N 1 1 418.588 2.693 20 10 HFCDMO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000804643844 1078699475 /nfs/dbraw/zinc/69/94/75/1078699475.db2.gz PYVLLRCUZAIQER-UGKGYDQZSA-N 1 1 422.573 2.880 20 10 HFCDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000805635952 1079189086 /nfs/dbraw/zinc/18/90/86/1079189086.db2.gz GKNXGCLCNQOPMG-ZWKOTPCHSA-N 1 1 402.583 2.947 20 10 HFCDMO Cn1cccc1[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000746671257 1076742888 /nfs/dbraw/zinc/74/28/88/1076742888.db2.gz MOGICWAQYSYZCC-JOCHJYFZSA-N 1 1 414.525 2.844 20 10 HFCDMO Cn1cccc1[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000746671257 1076742892 /nfs/dbraw/zinc/74/28/92/1076742892.db2.gz MOGICWAQYSYZCC-JOCHJYFZSA-N 1 1 414.525 2.844 20 10 HFCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000787621288 1076881551 /nfs/dbraw/zinc/88/15/51/1076881551.db2.gz DJZPSIVRLBJCKF-UHFFFAOYSA-N 1 1 422.573 2.664 20 10 HFCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000787621288 1076881556 /nfs/dbraw/zinc/88/15/56/1076881556.db2.gz DJZPSIVRLBJCKF-UHFFFAOYSA-N 1 1 422.573 2.664 20 10 HFCDMO CC[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)[N@H+]1CCc2ccccc2C1 ZINC000787630996 1076884233 /nfs/dbraw/zinc/88/42/33/1076884233.db2.gz GHFOFDJOAAYGDY-JOCHJYFZSA-N 1 1 422.573 2.630 20 10 HFCDMO O=C1C[C@]2(CC[N@@H+]([C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)C2)CN1 ZINC000788332000 1077104657 /nfs/dbraw/zinc/10/46/57/1077104657.db2.gz NNTBKKWSHPAGDH-WMZHIEFXSA-N 1 1 417.469 2.946 20 10 HFCDMO O=C1C[C@]2(CC[N@H+]([C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)C2)CN1 ZINC000788332000 1077104661 /nfs/dbraw/zinc/10/46/61/1077104661.db2.gz NNTBKKWSHPAGDH-WMZHIEFXSA-N 1 1 417.469 2.946 20 10 HFCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCSC(C)(C)CC3)CC2)cc1 ZINC000788926783 1077338528 /nfs/dbraw/zinc/33/85/28/1077338528.db2.gz RTEBDBNITNVIJE-UHFFFAOYSA-N 1 1 406.596 2.744 20 10 HFCDMO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000788929467 1077339329 /nfs/dbraw/zinc/33/93/29/1077339329.db2.gz JPENYYHGLGCBEB-UGKGYDQZSA-N 1 1 420.557 2.682 20 10 HFCDMO C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000788929496 1077339700 /nfs/dbraw/zinc/33/97/00/1077339700.db2.gz KJWGUMRKRWBYCJ-IBGZPJMESA-N 1 1 408.546 2.540 20 10 HFCDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788909247 1077349224 /nfs/dbraw/zinc/34/92/24/1077349224.db2.gz FEIIGVREEIBLDT-NRFANRHFSA-N 1 1 400.567 2.674 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000788954476 1077361378 /nfs/dbraw/zinc/36/13/78/1077361378.db2.gz KGOXLCMEVKEZJP-OTWHNJEPSA-N 1 1 402.583 2.632 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000788954285 1077361563 /nfs/dbraw/zinc/36/15/63/1077361563.db2.gz JKSPSRTVYXQVPW-YADHBBJMSA-N 1 1 408.546 2.711 20 10 HFCDMO CCn1c(N)c(C(=O)C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)c(=O)[nH]c1=O ZINC000746791638 1077454736 /nfs/dbraw/zinc/45/47/36/1077454736.db2.gz RYENCUFERRQEOX-OAHLLOKOSA-N 1 1 422.485 2.703 20 10 HFCDMO CCn1c(N)c(C(=O)C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)c(=O)[nH]c1=O ZINC000746791638 1077454738 /nfs/dbraw/zinc/45/47/38/1077454738.db2.gz RYENCUFERRQEOX-OAHLLOKOSA-N 1 1 422.485 2.703 20 10 HFCDMO C[N@@H+](CCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C1CC1 ZINC000746843632 1077717343 /nfs/dbraw/zinc/71/73/43/1077717343.db2.gz HZGJHKXLZYYLBU-NTCAYCPXSA-N 1 1 409.602 2.940 20 10 HFCDMO Cc1nc(NC(=O)C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)sc1C ZINC000789766139 1077768173 /nfs/dbraw/zinc/76/81/73/1077768173.db2.gz VMJJGMCKWSACAF-HNNXBMFYSA-N 1 1 422.938 2.838 20 10 HFCDMO Cc1nc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)sc1C ZINC000789766139 1077768180 /nfs/dbraw/zinc/76/81/80/1077768180.db2.gz VMJJGMCKWSACAF-HNNXBMFYSA-N 1 1 422.938 2.838 20 10 HFCDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)ccc1N1CCCCC1 ZINC000789772244 1077808089 /nfs/dbraw/zinc/80/80/89/1077808089.db2.gz XVKUKSQTYOVMND-SFHVURJKSA-N 1 1 422.551 2.585 20 10 HFCDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)ccc1N1CCCCC1 ZINC000789772244 1077808095 /nfs/dbraw/zinc/80/80/95/1077808095.db2.gz XVKUKSQTYOVMND-SFHVURJKSA-N 1 1 422.551 2.585 20 10 HFCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000772797015 1077879800 /nfs/dbraw/zinc/87/98/00/1077879800.db2.gz ASJWOQJYQPXAJA-MRXNPFEDSA-N 1 1 419.547 2.882 20 10 HFCDMO COCCN(C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CC[C@H](C)C1 ZINC000790263887 1077989626 /nfs/dbraw/zinc/98/96/26/1077989626.db2.gz QPMFYVMDJCBGPZ-PZJWPPBQSA-N 1 1 418.582 2.664 20 10 HFCDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CC[C@]4(C3)CCCOC4)cc2F)C[C@@H](C)O1 ZINC000792940763 1078022387 /nfs/dbraw/zinc/02/23/87/1078022387.db2.gz PVQKZZYOYWJINU-PNCHPQGNSA-N 1 1 419.541 2.558 20 10 HFCDMO C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000806279447 1079542908 /nfs/dbraw/zinc/54/29/08/1079542908.db2.gz ORERYNXDTPDRGM-HUUCEWRRSA-N 1 1 410.609 2.511 20 10 HFCDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000806253105 1079549084 /nfs/dbraw/zinc/54/90/84/1079549084.db2.gz ADCOAROABBACTM-FQEVSTJZSA-N 1 1 402.583 2.870 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000807098288 1080277588 /nfs/dbraw/zinc/27/75/88/1080277588.db2.gz VRALXVUHKGMOAU-QHCPKHFHSA-N 1 1 422.573 2.800 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000807099359 1080279064 /nfs/dbraw/zinc/27/90/64/1080279064.db2.gz SUUOUEDMYVZQHM-WMZHIEFXSA-N 1 1 422.573 2.704 20 10 HFCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807102684 1080281754 /nfs/dbraw/zinc/28/17/54/1080281754.db2.gz HPECNUIEMQMEGS-OAQYLSRUSA-N 1 1 422.573 2.658 20 10 HFCDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cnc(C2OCCO2)s1 ZINC000807108261 1080287106 /nfs/dbraw/zinc/28/71/06/1080287106.db2.gz SNBSUHAHMWHHRP-AWEZNQCLSA-N 1 1 423.922 2.942 20 10 HFCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cnc(C2OCCO2)s1 ZINC000807108261 1080287116 /nfs/dbraw/zinc/28/71/16/1080287116.db2.gz SNBSUHAHMWHHRP-AWEZNQCLSA-N 1 1 423.922 2.942 20 10 HFCDMO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000807363456 1080525700 /nfs/dbraw/zinc/52/57/00/1080525700.db2.gz GZSDPVQSCAMKPJ-VCSGRIEYSA-N 1 1 400.567 2.623 20 10 HFCDMO COc1ccc(CNC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c(O)c1 ZINC000793081171 1078063800 /nfs/dbraw/zinc/06/38/00/1078063800.db2.gz CWWZUSWNHCXVLB-SFHVURJKSA-N 1 1 401.532 2.818 20 10 HFCDMO COc1ccc(CNC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c(O)c1 ZINC000793081171 1078063803 /nfs/dbraw/zinc/06/38/03/1078063803.db2.gz CWWZUSWNHCXVLB-SFHVURJKSA-N 1 1 401.532 2.818 20 10 HFCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790787474 1078134622 /nfs/dbraw/zinc/13/46/22/1078134622.db2.gz FDWGZEZUZUDVLM-YLJYHZDGSA-N 1 1 414.893 2.714 20 10 HFCDMO Cn1cc(C(=O)CCC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000793689079 1078257548 /nfs/dbraw/zinc/25/75/48/1078257548.db2.gz JBEDKHYXCJMEPF-KRWDZBQOSA-N 1 1 404.898 2.523 20 10 HFCDMO Cn1cc(C(=O)CCC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000793689079 1078257551 /nfs/dbraw/zinc/25/75/51/1078257551.db2.gz JBEDKHYXCJMEPF-KRWDZBQOSA-N 1 1 404.898 2.523 20 10 HFCDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000793901246 1078332800 /nfs/dbraw/zinc/33/28/00/1078332800.db2.gz LULMZICZZDWYSW-VQTJNVASSA-N 1 1 414.594 2.776 20 10 HFCDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000804424260 1078470881 /nfs/dbraw/zinc/47/08/81/1078470881.db2.gz CQIBKUJTVOXFRN-OAQYLSRUSA-N 1 1 400.567 2.626 20 10 HFCDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000804851792 1078720319 /nfs/dbraw/zinc/72/03/19/1078720319.db2.gz PBFHXUQSCRTLRW-GOSISDBHSA-N 1 1 406.546 2.669 20 10 HFCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000804852269 1078722393 /nfs/dbraw/zinc/72/23/93/1078722393.db2.gz FNBBPNQCPZFLHQ-SFHVURJKSA-N 1 1 406.546 2.621 20 10 HFCDMO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC001130098605 1078949152 /nfs/dbraw/zinc/94/91/52/1078949152.db2.gz ORSRQWDWCLQMDN-ZDUSSCGKSA-N 1 1 407.426 2.536 20 10 HFCDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC001130098605 1078949156 /nfs/dbraw/zinc/94/91/56/1078949156.db2.gz ORSRQWDWCLQMDN-ZDUSSCGKSA-N 1 1 407.426 2.536 20 10 HFCDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000805637223 1079190224 /nfs/dbraw/zinc/19/02/24/1079190224.db2.gz JVDHBXXHYVHVFZ-IBGZPJMESA-N 1 1 414.594 2.920 20 10 HFCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO)cc2=O ZINC000805820374 1079292039 /nfs/dbraw/zinc/29/20/39/1079292039.db2.gz LNXJULPTBMUDLP-CVEARBPZSA-N 1 1 412.490 2.598 20 10 HFCDMO CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@@H+](Cc3ccccc3)CC[C@H]1C)cc2=O ZINC000746678448 1076769436 /nfs/dbraw/zinc/76/94/36/1076769436.db2.gz XFIDHBQZRHSQPB-QGZVFWFLSA-N 1 1 423.517 2.708 20 10 HFCDMO CC[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000787630943 1076884147 /nfs/dbraw/zinc/88/41/47/1076884147.db2.gz FHNGUVLGDOOJJO-JOCHJYFZSA-N 1 1 422.573 2.664 20 10 HFCDMO C[N@@H+](CCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC000787673669 1076889884 /nfs/dbraw/zinc/88/98/84/1076889884.db2.gz 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COc1ccc(N2CC[NH+](CCNC(=O)N3CC[C@H](C(F)(F)F)[C@H]3C)CC2)cc1 ZINC000792056476 1077661805 /nfs/dbraw/zinc/66/18/05/1077661805.db2.gz FIAXUPGPOGANRI-QAPCUYQASA-N 1 1 414.472 2.800 20 10 HFCDMO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[N@@H+]1CCc2sccc2C1 ZINC000789721804 1077758609 /nfs/dbraw/zinc/75/86/09/1077758609.db2.gz GSWUUCRFFCWZSY-CVEARBPZSA-N 1 1 414.575 2.554 20 10 HFCDMO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[N@H+]1CCc2sccc2C1 ZINC000789721804 1077758616 /nfs/dbraw/zinc/75/86/16/1077758616.db2.gz GSWUUCRFFCWZSY-CVEARBPZSA-N 1 1 414.575 2.554 20 10 HFCDMO COc1ccc(CNC(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c(O)c1 ZINC000792828922 1078006974 /nfs/dbraw/zinc/00/69/74/1078006974.db2.gz LDZLZZNJCPBURP-OAQYLSRUSA-N 1 1 412.534 2.579 20 10 HFCDMO COc1ccc(CNC(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(O)c1 ZINC000792828922 1078006980 /nfs/dbraw/zinc/00/69/80/1078006980.db2.gz LDZLZZNJCPBURP-OAQYLSRUSA-N 1 1 412.534 2.579 20 10 HFCDMO 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C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806277336 1079540918 /nfs/dbraw/zinc/54/09/18/1079540918.db2.gz YMDJBPVGHSMRDK-IRXDYDNUSA-N 1 1 424.636 2.855 20 10 HFCDMO NC(=O)c1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nc1Cl ZINC000807107579 1080285969 /nfs/dbraw/zinc/28/59/69/1080285969.db2.gz IAUULSKPAOVLCM-ZDUSSCGKSA-N 1 1 423.300 2.587 20 10 HFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000807546669 1080763940 /nfs/dbraw/zinc/76/39/40/1080763940.db2.gz QJFPTNNQTJRKCV-WMZHIEFXSA-N 1 1 422.573 2.738 20 10 HFCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(C(F)(F)F)c1 ZINC000793186575 1078096448 /nfs/dbraw/zinc/09/64/48/1078096448.db2.gz VKBYJXFRBYXHCK-MRXNPFEDSA-N 1 1 405.486 2.771 20 10 HFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(C(F)(F)F)c1 ZINC000793186575 1078096452 /nfs/dbraw/zinc/09/64/52/1078096452.db2.gz VKBYJXFRBYXHCK-MRXNPFEDSA-N 1 1 405.486 2.771 20 10 HFCDMO C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000793838647 1078311264 /nfs/dbraw/zinc/31/12/64/1078311264.db2.gz AZNYHBLDZOAKAU-PZJWPPBQSA-N 1 1 422.573 2.958 20 10 HFCDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000793912204 1078335964 /nfs/dbraw/zinc/33/59/64/1078335964.db2.gz DHAFDXRPNTXMLV-HDICACEKSA-N 1 1 402.583 2.584 20 10 HFCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000793933236 1078342224 /nfs/dbraw/zinc/34/22/24/1078342224.db2.gz ZLNJTCRQQFZKPE-WBVHZDCISA-N 1 1 418.588 2.693 20 10 HFCDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1cc(Br)ccc1O ZINC000804735939 1078594397 /nfs/dbraw/zinc/59/43/97/1078594397.db2.gz LUTUKLNSAGRDNI-UHFFFAOYSA-N 1 1 404.268 2.621 20 10 HFCDMO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000804643843 1078699464 /nfs/dbraw/zinc/69/94/64/1078699464.db2.gz PYVLLRCUZAIQER-SIKLNZKXSA-N 1 1 422.573 2.880 20 10 HFCDMO 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O=C(NCc1cc(Br)ccc1O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804734701 1078592664 /nfs/dbraw/zinc/59/26/64/1078592664.db2.gz WRQIMKJVZZPERJ-GOSISDBHSA-N 1 1 405.292 2.672 20 10 HFCDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805022915 1078833462 /nfs/dbraw/zinc/83/34/62/1078833462.db2.gz IGNOIGFSKBFPND-NRFANRHFSA-N 1 1 414.594 2.920 20 10 HFCDMO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000805195958 1078969978 /nfs/dbraw/zinc/96/99/78/1078969978.db2.gz HOLAUVAFDFQVSU-VWLOTQADSA-N 1 1 422.573 2.882 20 10 HFCDMO CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000787451901 1076816728 /nfs/dbraw/zinc/81/67/28/1076816728.db2.gz ZYBSKQVBYOVUCS-RTBURBONSA-N 1 1 407.942 2.821 20 10 HFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000787640814 1076892895 /nfs/dbraw/zinc/89/28/95/1076892895.db2.gz QXZRFFRVRGPMBA-IBGZPJMESA-N 1 1 402.564 2.582 20 10 HFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C 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/nfs/dbraw/zinc/34/66/12/1077346612.db2.gz KZJBRFYHQWRQMB-UHFFFAOYSA-N 1 1 415.538 2.602 20 10 HFCDMO Cc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)[NH+]2CCCC2)o1 ZINC000788933227 1077367539 /nfs/dbraw/zinc/36/75/39/1077367539.db2.gz UDTMWKFSEPBSMW-OAQYLSRUSA-N 1 1 424.545 2.758 20 10 HFCDMO CCn1c(N)c(C(=O)C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)c(=O)[nH]c1=O ZINC000746791637 1077454759 /nfs/dbraw/zinc/45/47/59/1077454759.db2.gz RYENCUFERRQEOX-HNNXBMFYSA-N 1 1 422.485 2.703 20 10 HFCDMO CCn1c(N)c(C(=O)C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)c(=O)[nH]c1=O ZINC000746791637 1077454761 /nfs/dbraw/zinc/45/47/61/1077454761.db2.gz RYENCUFERRQEOX-HNNXBMFYSA-N 1 1 422.485 2.703 20 10 HFCDMO CN(C)c1ccc(CN(C)C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792036799 1077687161 /nfs/dbraw/zinc/68/71/61/1077687161.db2.gz YIBCYVCGTMZRMI-UHFFFAOYSA-N 1 1 404.555 2.654 20 10 HFCDMO NC(=O)c1ccccc1CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000792238306 1077759513 /nfs/dbraw/zinc/75/95/13/1077759513.db2.gz 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