smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)CC[C@H](C)[NH+]1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012307818 518589346 /nfs/dbraw/zinc/58/93/46/518589346.db2.gz RIQFAJAAVDRRQX-FQEVSTJZSA-N 1 1 398.595 3.619 50 30 GHEAMO COc1c(Br)csc1C(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004324075 521776777 /nfs/dbraw/zinc/77/67/77/521776777.db2.gz LEWUMDZLGDQVQT-UHFFFAOYSA-N 1 1 389.658 3.650 50 30 GHEAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2F)cc1 ZINC000020947445 525412732 /nfs/dbraw/zinc/41/27/32/525412732.db2.gz YPNZWRQRFIEJAZ-HXUWFJFHSA-N 1 1 381.451 3.918 50 30 GHEAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2F)cc1 ZINC000020947445 525412744 /nfs/dbraw/zinc/41/27/44/525412744.db2.gz YPNZWRQRFIEJAZ-HXUWFJFHSA-N 1 1 381.451 3.918 50 30 GHEAMO OCC#Cc1csc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3)c1 ZINC000012706086 527520417 /nfs/dbraw/zinc/52/04/17/527520417.db2.gz JRACYCPBEDKEQM-HSZRJFAPSA-N 1 1 398.547 3.719 50 30 GHEAMO OCC#Cc1csc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000012706086 527520425 /nfs/dbraw/zinc/52/04/25/527520425.db2.gz JRACYCPBEDKEQM-HSZRJFAPSA-N 1 1 398.547 3.719 50 30 GHEAMO OCC#Cc1csc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)c1 ZINC000012706086 527520430 /nfs/dbraw/zinc/52/04/30/527520430.db2.gz JRACYCPBEDKEQM-HSZRJFAPSA-N 1 1 398.547 3.719 50 30 GHEAMO C=CCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036156293 570553570 /nfs/dbraw/zinc/55/35/70/570553570.db2.gz WELJXGHXHRBZRE-HXUWFJFHSA-N 1 1 399.535 3.717 50 30 GHEAMO N#Cc1ccccc1OCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000059931914 205180517 /nfs/dbraw/zinc/18/05/17/205180517.db2.gz ALXMQUJNQGSHDF-HXUWFJFHSA-N 1 1 378.476 3.613 50 30 GHEAMO C=CCc1cc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)ccc1OC ZINC000095358466 519130800 /nfs/dbraw/zinc/13/08/00/519130800.db2.gz WUIJIMOSMHTVNG-DENIHFKCSA-N 1 1 391.515 3.555 50 30 GHEAMO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C#CCCO)cc3)C2)c1 ZINC000012314852 525839952 /nfs/dbraw/zinc/83/99/52/525839952.db2.gz ZMQODXLKBQWDQY-JOCHJYFZSA-N 1 1 377.484 3.524 50 30 GHEAMO O=C(NCC#CC[N@@H+]1CCc2ccccc2C1)C(c1ccccc1)c1ccccc1 ZINC000070641620 527546687 /nfs/dbraw/zinc/54/66/87/527546687.db2.gz URHQDZJBBINJJK-UHFFFAOYSA-N 1 1 394.518 3.996 50 30 GHEAMO O=C(NCC#CC[N@H+]1CCc2ccccc2C1)C(c1ccccc1)c1ccccc1 ZINC000070641620 527546694 /nfs/dbraw/zinc/54/66/94/527546694.db2.gz URHQDZJBBINJJK-UHFFFAOYSA-N 1 1 394.518 3.996 50 30 GHEAMO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C1(C#N)CCCCC1 ZINC000008157207 856019558 /nfs/dbraw/zinc/01/95/58/856019558.db2.gz MUFKGYKAOVDDQK-LJQANCHMSA-N 1 1 397.519 3.670 50 30 GHEAMO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C1(C#N)CCCCC1 ZINC000008157207 856019569 /nfs/dbraw/zinc/01/95/69/856019569.db2.gz MUFKGYKAOVDDQK-LJQANCHMSA-N 1 1 397.519 3.670 50 30 GHEAMO C=CCOc1cc(Cl)c(C[N@H+]2CCCC[C@H]2CCNC(C)=O)cc1OC ZINC000952961226 904640431 /nfs/dbraw/zinc/64/04/31/904640431.db2.gz AJCQWOKSDJPVBV-KRWDZBQOSA-N 1 1 380.916 3.794 50 30 GHEAMO N#Cc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000426503711 231231523 /nfs/dbraw/zinc/23/15/23/231231523.db2.gz VMRMKNQKYSLCEM-HSZRJFAPSA-N 1 1 395.453 3.851 50 30 GHEAMO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058265034 205171350 /nfs/dbraw/zinc/17/13/50/205171350.db2.gz PHEAYOPCYVVNHQ-QFIPXVFZSA-N 1 1 376.504 3.612 50 30 GHEAMO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058265035 205171960 /nfs/dbraw/zinc/17/19/60/205171960.db2.gz PHEAYOPCYVVNHQ-JOCHJYFZSA-N 1 1 376.504 3.612 50 30 GHEAMO N#Cc1cccc(C[N@@H+]2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000071764549 205294890 /nfs/dbraw/zinc/29/48/90/205294890.db2.gz SNLHOFAWDNXKTI-WWPVKYPJSA-N 1 1 379.454 3.899 50 30 GHEAMO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000055167342 520465907 /nfs/dbraw/zinc/46/59/07/520465907.db2.gz OQATUBZHBVVPBA-UHFFFAOYSA-N 1 1 391.511 3.935 50 30 GHEAMO CCCc1c(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000004324015 521336728 /nfs/dbraw/zinc/33/67/28/521336728.db2.gz QFJXHLALUKGKGN-UHFFFAOYSA-N 1 1 382.851 3.956 50 30 GHEAMO C[N@H+](CC(=O)NC1(C#N)CCCCCC1)Cc1ccc(Br)cc1 ZINC000022842711 522461373 /nfs/dbraw/zinc/46/13/73/522461373.db2.gz IFNVDFCDOJWCOT-UHFFFAOYSA-N 1 1 378.314 3.614 50 30 GHEAMO C[N@@H+](CC(=O)NC1(C#N)CCCCCC1)Cc1ccc(Br)cc1 ZINC000022842711 522461379 /nfs/dbraw/zinc/46/13/79/522461379.db2.gz IFNVDFCDOJWCOT-UHFFFAOYSA-N 1 1 378.314 3.614 50 30 GHEAMO CC[C@H]1CO[C@H](C)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012950927 570318425 /nfs/dbraw/zinc/31/84/25/570318425.db2.gz QRPLSNGRSOEHCR-CABCVRRESA-N 1 1 375.538 3.717 50 30 GHEAMO Cc1cccc(OCC[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000024680051 570389572 /nfs/dbraw/zinc/38/95/72/570389572.db2.gz SDYFDJPSFWGPLA-LJQANCHMSA-N 1 1 386.455 3.543 50 30 GHEAMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237622808 570944815 /nfs/dbraw/zinc/94/48/15/570944815.db2.gz CTPDYSKTKRYXHO-AQNXPRMDSA-N 1 1 393.531 3.876 50 30 GHEAMO CCOCCCNC(=[NH+]CC(C)C)[C@@H](C#N)c1nc(-c2ccncc2)cs1 ZINC000225503825 856559296 /nfs/dbraw/zinc/55/92/96/856559296.db2.gz OVMKXYVZOWONHK-QGZVFWFLSA-N 1 1 385.537 3.883 50 30 GHEAMO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@@H+](CC)CC(=C)C)C2 ZINC000014536574 919331843 /nfs/dbraw/zinc/33/18/43/919331843.db2.gz TULRXUNCBNJEGD-IBGZPJMESA-N 1 1 384.568 3.841 50 30 GHEAMO C[N@@H+]1Cc2sc(NC(=S)NC(=O)c3ccccc3)c(C#N)c2CC1(C)C ZINC000004833489 204080153 /nfs/dbraw/zinc/08/01/53/204080153.db2.gz UISUIXNIEAADCJ-UHFFFAOYSA-N 1 1 384.530 3.513 50 30 GHEAMO C[N@H+]1Cc2sc(NC(=S)NC(=O)c3ccccc3)c(C#N)c2CC1(C)C ZINC000004833489 204080156 /nfs/dbraw/zinc/08/01/56/204080156.db2.gz UISUIXNIEAADCJ-UHFFFAOYSA-N 1 1 384.530 3.513 50 30 GHEAMO COC(=O)c1cc(Cl)ccc1NC(C=C[NH+](C)C)=CC(=O)C(F)(F)F ZINC000006176737 204170336 /nfs/dbraw/zinc/17/03/36/204170336.db2.gz KIGZOQJXKTVEJB-RXUIJTJXSA-N 1 1 376.762 3.629 50 30 GHEAMO N#Cc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000059387291 205178046 /nfs/dbraw/zinc/17/80/46/205178046.db2.gz XLHDIKRHRVGWLI-GOSISDBHSA-N 1 1 390.405 3.981 50 30 GHEAMO C=CCN(CCc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000058208868 518775173 /nfs/dbraw/zinc/77/51/73/518775173.db2.gz VAURNANEVUEYCX-UHFFFAOYSA-N 1 1 375.476 3.516 50 30 GHEAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(C#CCCO)cc3)C2)cc1F ZINC000012026196 523779652 /nfs/dbraw/zinc/77/96/52/523779652.db2.gz ADPYZLWJEHJGCR-NRFANRHFSA-N 1 1 395.474 3.663 50 30 GHEAMO Cc1c(C(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000004590798 525668212 /nfs/dbraw/zinc/66/82/12/525668212.db2.gz LOSDONGCOUTXEY-UHFFFAOYSA-N 1 1 382.203 3.882 50 30 GHEAMO Cc1ccc(C(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000005073063 526237222 /nfs/dbraw/zinc/23/72/22/526237222.db2.gz XRJZQPUWBVPWPB-UHFFFAOYSA-N 1 1 382.203 3.882 50 30 GHEAMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000020947684 526447531 /nfs/dbraw/zinc/44/75/31/526447531.db2.gz OFJOFVYOZIUQOZ-HXUWFJFHSA-N 1 1 391.471 3.542 50 30 GHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000020947684 526447536 /nfs/dbraw/zinc/44/75/36/526447536.db2.gz OFJOFVYOZIUQOZ-HXUWFJFHSA-N 1 1 391.471 3.542 50 30 GHEAMO O=C(CC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)NCc1ccccc1F ZINC000012093206 570235008 /nfs/dbraw/zinc/23/50/08/570235008.db2.gz YVLVFAKYDPAXBC-OAQYLSRUSA-N 1 1 378.491 3.986 50 30 GHEAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000023374855 570300000 /nfs/dbraw/zinc/30/00/00/570300000.db2.gz NUEHCNBWGRBQTE-RUZDIDTESA-N 1 1 390.571 3.948 50 30 GHEAMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1c1ncnc2sc3c(c21)CCC3 ZINC000170596348 570854707 /nfs/dbraw/zinc/85/47/07/570854707.db2.gz KKFQIMCDNZIRSL-OAHLLOKOSA-N 1 1 389.528 3.762 50 30 GHEAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)COc3ccc(C#N)cc3)n2)C1 ZINC000012755618 571006982 /nfs/dbraw/zinc/00/69/82/571006982.db2.gz UQSTWRLVZWIXRW-HUUCEWRRSA-N 1 1 384.505 3.510 50 30 GHEAMO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CC1=C(c2ccccc2)CCC1=O ZINC000821294854 862312303 /nfs/dbraw/zinc/31/23/03/862312303.db2.gz XLXIGXMAPUYCNN-GOSISDBHSA-N 1 1 388.511 3.756 50 30 GHEAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CC1=C(c2ccccc2)CCC1=O ZINC000821294854 862312320 /nfs/dbraw/zinc/31/23/20/862312320.db2.gz XLXIGXMAPUYCNN-GOSISDBHSA-N 1 1 388.511 3.756 50 30 GHEAMO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](C[N@H+]3CCc4ccccc4C3)C(=O)O[C@@H]1C2 ZINC000012659756 927407380 /nfs/dbraw/zinc/40/73/80/927407380.db2.gz QRQMVOJVQOCKSG-SJHWQXQCSA-N 1 1 381.516 3.572 50 30 biogenic GHEAMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1 ZINC000007266526 203757514 /nfs/dbraw/zinc/75/75/14/203757514.db2.gz NWMJXKMQBRQNBX-INIZCTEOSA-N 1 1 384.476 3.686 50 30 GHEAMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1 ZINC000007266526 203757517 /nfs/dbraw/zinc/75/75/17/203757517.db2.gz NWMJXKMQBRQNBX-INIZCTEOSA-N 1 1 384.476 3.686 50 30 GHEAMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000047261966 205109656 /nfs/dbraw/zinc/10/96/56/205109656.db2.gz FMDZOGQVSAEBTA-INIZCTEOSA-N 1 1 399.292 3.566 50 30 GHEAMO C=CCN1C(=O)N[C@H](c2ccccc2C)C(C(=O)OCC)=C1C[NH+]1CCCCC1 ZINC000035991304 518841303 /nfs/dbraw/zinc/84/13/03/518841303.db2.gz LNHQKRRALIRLCU-OAQYLSRUSA-N 1 1 397.519 3.550 50 30 GHEAMO C#CCOC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)[C@H](C)C(C)C ZINC000104912336 570908048 /nfs/dbraw/zinc/90/80/48/570908048.db2.gz CZVPUEKEXVFVJS-AUSIDOKSSA-N 1 1 386.511 3.533 50 30 GHEAMO N#Cc1ccccc1NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012772481 571026450 /nfs/dbraw/zinc/02/64/50/571026450.db2.gz NWRKAIGEKMUPBT-UHFFFAOYSA-N 1 1 377.444 3.670 50 30 GHEAMO CCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCC[NH+]1CCOCC1 ZINC000020462281 860580030 /nfs/dbraw/zinc/58/00/30/860580030.db2.gz OUCDUCMLSFUMJU-UHFFFAOYSA-N 1 1 391.519 3.754 50 30 GHEAMO CCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3cc4ccccc4o3)C2)cc1C#N ZINC000826773310 864786306 /nfs/dbraw/zinc/78/63/06/864786306.db2.gz KJXVQHYSSFFUBK-KRWDZBQOSA-N 1 1 390.487 3.768 50 30 GHEAMO N#Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000059387290 205177881 /nfs/dbraw/zinc/17/78/81/205177881.db2.gz XLHDIKRHRVGWLI-SFHVURJKSA-N 1 1 390.405 3.981 50 30 GHEAMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071712088 205288163 /nfs/dbraw/zinc/28/81/63/205288163.db2.gz NEOBLSLBTMISJX-QFIPXVFZSA-N 1 1 379.479 3.956 50 30 GHEAMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)NCc2cc3ccccc3s2)c(=O)[nH]1 ZINC000014989369 518599593 /nfs/dbraw/zinc/59/95/93/518599593.db2.gz RTZMDNWBGRTYBJ-UHFFFAOYSA-N 1 1 395.528 3.918 50 30 GHEAMO C=CCc1cc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)ccc1OC ZINC000095365902 519130176 /nfs/dbraw/zinc/13/01/76/519130176.db2.gz PPDCIUWUWWJHCZ-JTHBVZDNSA-N 1 1 377.532 3.915 50 30 GHEAMO C=CCN(CC=C)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000015070801 570246498 /nfs/dbraw/zinc/24/64/98/570246498.db2.gz FFYNQYIRXIDCCB-JOCHJYFZSA-N 1 1 381.564 3.564 50 30 GHEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103942 570540845 /nfs/dbraw/zinc/54/08/45/570540845.db2.gz ACQBMMGIAUZXOE-NRFANRHFSA-N 1 1 383.488 3.598 50 30 GHEAMO CC(C)(CNC(=O)c1ccccc1SCC#N)[N@H+]1CCc2ccccc2C1 ZINC000040080555 856651407 /nfs/dbraw/zinc/65/14/07/856651407.db2.gz YGEKDCINBWFRLN-UHFFFAOYSA-N 1 1 379.529 3.869 50 30 GHEAMO N#Cc1cccc(-c2n[nH]c3c2C[N@H+](Cc2cccn2-c2nccs2)CC3)c1 ZINC000019840026 858058742 /nfs/dbraw/zinc/05/87/42/858058742.db2.gz SYAKPPOLZVYRDS-UHFFFAOYSA-N 1 1 386.484 3.754 50 30 GHEAMO N#Cc1cccc(-c2n[nH]c3c2C[N@@H+](Cc2cccn2-c2nccs2)CC3)c1 ZINC000019840026 858058746 /nfs/dbraw/zinc/05/87/46/858058746.db2.gz SYAKPPOLZVYRDS-UHFFFAOYSA-N 1 1 386.484 3.754 50 30 GHEAMO N#Cc1ccc(C[N@@H+]2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095358307 901616132 /nfs/dbraw/zinc/61/61/32/901616132.db2.gz VTKWMJPMLVYYRW-WWPVKYPJSA-N 1 1 379.454 3.899 50 30 GHEAMO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000096131339 901825048 /nfs/dbraw/zinc/82/50/48/901825048.db2.gz VPSYPRCOWADKSX-GOSISDBHSA-N 1 1 378.476 3.601 50 30 GHEAMO CC[NH+]=C(Nc1ccc(OC)cc1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000027530942 520203456 /nfs/dbraw/zinc/20/34/56/520203456.db2.gz XVTPFFINXBOUBI-QGZVFWFLSA-N 1 1 383.473 3.548 50 30 GHEAMO Cc1cccc(C(=[NH2+])NOC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000004723216 570397726 /nfs/dbraw/zinc/39/77/26/570397726.db2.gz ONTRYXMJUPDZIP-UHFFFAOYSA-N 1 1 397.656 3.653 50 30 GHEAMO N#Cc1ccccc1OCCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000013734201 570673007 /nfs/dbraw/zinc/67/30/07/570673007.db2.gz GQJPTMKSSZZTGY-UHFFFAOYSA-N 1 1 378.501 3.759 50 30 GHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](CCO)Cc4ccccc4)[C@H]3C[C@@H]12 ZINC000012653642 883586755 /nfs/dbraw/zinc/58/67/55/883586755.db2.gz CCZWGDIGLXBWNJ-KQWJERSKSA-N 1 1 383.532 3.795 50 30 biogenic GHEAMO C=CCn1c(N[NH+]=Cc2ccc(N(CC)CC)cc2)nc2ccccc2c1=O ZINC000004737677 204071157 /nfs/dbraw/zinc/07/11/57/204071157.db2.gz KHQHFWILRFFXNZ-XQNSMLJCSA-N 1 1 375.476 3.875 50 30 GHEAMO C=CC[C@H]1C=C(C)C[C@H](CC=C)[N@@H+]1Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000055168020 519118703 /nfs/dbraw/zinc/11/87/03/519118703.db2.gz YPFZCYKIHAVRAP-ROUUACIJSA-N 1 1 378.538 3.712 50 30 GHEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cc(Br)ccc3O)CC2)cc1 ZINC000020130354 570241346 /nfs/dbraw/zinc/24/13/46/570241346.db2.gz FALYANJBKWCKGZ-FYJGNVAPSA-N 1 1 388.309 3.615 50 30 GHEAMO Cc1ccc(NC(=[NH2+])c2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC000020363955 570253418 /nfs/dbraw/zinc/25/34/18/570253418.db2.gz INILDPXHIVZKMM-UHFFFAOYSA-N 1 1 381.173 3.545 50 30 GHEAMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012950915 570318677 /nfs/dbraw/zinc/31/86/77/570318677.db2.gz QRPLSNGRSOEHCR-GJZGRUSLSA-N 1 1 375.538 3.717 50 30 GHEAMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000032769028 570803373 /nfs/dbraw/zinc/80/33/73/570803373.db2.gz HEQKAKOOQUIYHP-NHCUHLMSSA-N 1 1 395.499 3.763 50 30 GHEAMO CC[C@H](c1nnc(Sc2ncccc2C#N)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000032907705 570908358 /nfs/dbraw/zinc/90/83/58/570908358.db2.gz IYAPYACLUJZFEO-QGZVFWFLSA-N 1 1 394.504 3.706 50 30 GHEAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)COc3ccc(C#N)cc3)n2)C1 ZINC000012755633 571006844 /nfs/dbraw/zinc/00/68/44/571006844.db2.gz UQSTWRLVZWIXRW-GJZGRUSLSA-N 1 1 384.505 3.510 50 30 GHEAMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071746688 205289895 /nfs/dbraw/zinc/28/98/95/205289895.db2.gz HMTSCIRPEXJUTI-QFIPXVFZSA-N 1 1 379.479 3.956 50 30 GHEAMO Cc1cc(C#N)c(N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)nc1C ZINC000095525450 136181556 /nfs/dbraw/zinc/18/15/56/136181556.db2.gz OKEQDLJETBVXGE-MRXNPFEDSA-N 1 1 378.505 3.655 50 30 GHEAMO C=CCSc1nnc([C@H]2CCC[N@H+](Cc3cccc(OCC)c3O)C2)n1C ZINC000014982785 519091663 /nfs/dbraw/zinc/09/16/63/519091663.db2.gz VJVIRAPNZQBBDB-INIZCTEOSA-N 1 1 388.537 3.577 50 30 GHEAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2F)cc1 ZINC000020947441 525250654 /nfs/dbraw/zinc/25/06/54/525250654.db2.gz YPNZWRQRFIEJAZ-FQEVSTJZSA-N 1 1 381.451 3.918 50 30 GHEAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2F)cc1 ZINC000020947441 525250662 /nfs/dbraw/zinc/25/06/62/525250662.db2.gz YPNZWRQRFIEJAZ-FQEVSTJZSA-N 1 1 381.451 3.918 50 30 GHEAMO CN(Cc1ccc(C#CCO)s1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000019635420 570282768 /nfs/dbraw/zinc/28/27/68/570282768.db2.gz KUOUITQZWORBSQ-NRFANRHFSA-N 1 1 382.573 3.621 50 30 GHEAMO C[N@H+](Cc1ccc(C#CCO)s1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000019635420 570282772 /nfs/dbraw/zinc/28/27/72/570282772.db2.gz KUOUITQZWORBSQ-NRFANRHFSA-N 1 1 382.573 3.621 50 30 GHEAMO C[N@@H+](Cc1ccc(C#CCO)s1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000019635420 570282775 /nfs/dbraw/zinc/28/27/75/570282775.db2.gz KUOUITQZWORBSQ-NRFANRHFSA-N 1 1 382.573 3.621 50 30 GHEAMO C=CCN(C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012326221 570314828 /nfs/dbraw/zinc/31/48/28/570314828.db2.gz RMABRJUVAVRWAW-IBGZPJMESA-N 1 1 377.488 3.556 50 30 GHEAMO C[N@@H+](CCOc1ccc(F)cc1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000024898557 570335846 /nfs/dbraw/zinc/33/58/46/570335846.db2.gz IAYAGLJNROHYFV-UHFFFAOYSA-N 1 1 387.480 3.587 50 30 GHEAMO CCc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000033088023 570807197 /nfs/dbraw/zinc/80/71/97/570807197.db2.gz BABNCYKEYUVXCG-UHFFFAOYSA-N 1 1 387.483 3.545 50 30 GHEAMO CCc1cccc2c1ncc(C#N)c2N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000032932689 570945742 /nfs/dbraw/zinc/94/57/42/570945742.db2.gz CJXYUTGELHQDRB-UHFFFAOYSA-N 1 1 398.510 3.926 50 30 GHEAMO O=C(CC1=C(c2ccccc2)CCC1=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000827801450 865110866 /nfs/dbraw/zinc/11/08/66/865110866.db2.gz DDQNZLJQPJKVBD-NRFANRHFSA-N 1 1 388.511 3.974 50 30 GHEAMO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000052801334 205135413 /nfs/dbraw/zinc/13/54/13/205135413.db2.gz UVFLIJHPRKQVQD-KRWDZBQOSA-N 1 1 394.544 3.819 50 30 GHEAMO CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000052801334 205135417 /nfs/dbraw/zinc/13/54/17/205135417.db2.gz UVFLIJHPRKQVQD-KRWDZBQOSA-N 1 1 394.544 3.819 50 30 GHEAMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000060475143 205181741 /nfs/dbraw/zinc/18/17/41/205181741.db2.gz DEDYJYPVTMTKQQ-MOPGFXCFSA-N 1 1 391.515 3.874 50 30 GHEAMO CCc1cc(C#N)ccc1NC(=O)c1cccc(C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000067907829 205266738 /nfs/dbraw/zinc/26/67/38/205266738.db2.gz ULRWVCWFHZZBGW-IBGZPJMESA-N 1 1 377.488 3.577 50 30 GHEAMO N#Cc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 ZINC000072433276 205350696 /nfs/dbraw/zinc/35/06/96/205350696.db2.gz FIJMVUWLXUSJTE-PZJWPPBQSA-N 1 1 379.529 3.675 50 30 GHEAMO C=CCn1c(C)c(C(C)=O)c(N2CC[NH+](Cc3ccccc3)CC2)nc1=S ZINC000055489854 519166811 /nfs/dbraw/zinc/16/68/11/519166811.db2.gz KRKCWBWJXVYGOZ-UHFFFAOYSA-N 1 1 382.533 3.632 50 30 GHEAMO N#CC1(NC(=O)C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000078772702 534568792 /nfs/dbraw/zinc/56/87/92/534568792.db2.gz ZNMKCARYBJUDFN-UHFFFAOYSA-N 1 1 398.334 3.520 50 30 GHEAMO N#CC1(NC(=O)C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000078772702 534568796 /nfs/dbraw/zinc/56/87/96/534568796.db2.gz ZNMKCARYBJUDFN-UHFFFAOYSA-N 1 1 398.334 3.520 50 30 GHEAMO CN(Cc1ccc(C#CCCO)cc1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000020212481 523205177 /nfs/dbraw/zinc/20/51/77/523205177.db2.gz VLXANGHJFIZMRZ-RUZDIDTESA-N 1 1 376.544 3.559 50 30 GHEAMO C[N@H+](Cc1ccc(C#CCCO)cc1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000020212481 523205187 /nfs/dbraw/zinc/20/51/87/523205187.db2.gz VLXANGHJFIZMRZ-RUZDIDTESA-N 1 1 376.544 3.559 50 30 GHEAMO C[N@@H+](Cc1ccc(C#CCCO)cc1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000020212481 523205190 /nfs/dbraw/zinc/20/51/90/523205190.db2.gz VLXANGHJFIZMRZ-RUZDIDTESA-N 1 1 376.544 3.559 50 30 GHEAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000019839357 523351983 /nfs/dbraw/zinc/35/19/83/523351983.db2.gz BDQIUKDJOSRTRR-FQEVSTJZSA-N 1 1 382.573 3.967 50 30 GHEAMO COc1ccc(C(=[NH2+])NOC(=O)c2ccccc2-c2ccccc2)cc1OC ZINC000005013580 523369495 /nfs/dbraw/zinc/36/94/95/523369495.db2.gz AYZFUDAWOUWNBP-UHFFFAOYSA-N 1 1 376.412 3.848 50 30 GHEAMO COc1ccc(C(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2Cl)cc1OC ZINC000004725346 523767867 /nfs/dbraw/zinc/76/78/67/523767867.db2.gz PQYVCNAZBXRPCW-UHFFFAOYSA-N 1 1 383.231 3.682 50 30 GHEAMO CN1CCC[C@@H](C[N@H+](CCc2ccccc2)Cc2ccc(C#CCCO)cc2)C1 ZINC000011815680 523812535 /nfs/dbraw/zinc/81/25/35/523812535.db2.gz DJDBCODKAZHSBU-AREMUKBSSA-N 1 1 390.571 3.807 50 30 GHEAMO CN1CCC[C@@H](C[N@@H+](CCc2ccccc2)Cc2ccc(C#CCCO)cc2)C1 ZINC000011815680 523812540 /nfs/dbraw/zinc/81/25/40/523812540.db2.gz DJDBCODKAZHSBU-AREMUKBSSA-N 1 1 390.571 3.807 50 30 GHEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(Br)s3)CC2)cc1 ZINC000019791176 524453493 /nfs/dbraw/zinc/45/34/93/524453493.db2.gz XOMLMJAWGVMUAW-XDHOZWIPSA-N 1 1 378.339 3.971 50 30 GHEAMO N[C@@H](c1c(F)c(F)c(F)c(F)c1F)[C@@H]([NH3+])c1c(F)c(F)c(F)c(F)c1F ZINC000100009808 527337247 /nfs/dbraw/zinc/33/72/47/527337247.db2.gz FUWCXGXKHYMDGK-KBPBESRZSA-N 1 1 392.196 3.777 50 30 GHEAMO N#Cc1ccc(C[NH+]2CCN(c3ccc(-c4nc5ccccc5[nH]4)cn3)CC2)cc1 ZINC000023994720 570341227 /nfs/dbraw/zinc/34/12/27/570341227.db2.gz NRDXGNOZCIQILB-UHFFFAOYSA-N 1 1 394.482 3.819 50 30 GHEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2C)=NO1 ZINC000169678031 570600134 /nfs/dbraw/zinc/60/01/34/570600134.db2.gz HTHGDXRJCSSHFF-YADHBBJMSA-N 1 1 394.515 3.554 50 30 GHEAMO COc1ccc(C[C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2F)cc1 ZINC000058014231 570706844 /nfs/dbraw/zinc/70/68/44/570706844.db2.gz KVXXZEPULACQSH-LJQANCHMSA-N 1 1 395.478 3.788 50 30 GHEAMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1c1ncnc2cc(Cl)ccc21 ZINC000170596345 570854719 /nfs/dbraw/zinc/85/47/19/570854719.db2.gz NAMBZPPKQMPNDW-HNNXBMFYSA-N 1 1 377.879 3.866 50 30 GHEAMO Cc1cc(C(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000080346618 860259739 /nfs/dbraw/zinc/25/97/39/860259739.db2.gz RNBCSAXPAKIKTK-UHFFFAOYSA-N 1 1 382.203 3.882 50 30 GHEAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2cccc(-c3cc(C#N)ccc3O)c2)C1 ZINC000534658857 867226580 /nfs/dbraw/zinc/22/65/80/867226580.db2.gz PUPVDUZZOIGUAQ-INIZCTEOSA-N 1 1 375.472 3.630 50 30 GHEAMO CC(=O)NC[C@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191464519 908629732 /nfs/dbraw/zinc/62/97/32/908629732.db2.gz MXOZOZFVEQEZSS-OAQYLSRUSA-N 1 1 375.516 3.734 50 30 GHEAMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000020149543 919612477 /nfs/dbraw/zinc/61/24/77/919612477.db2.gz ISYKSCQOUQWPRP-JOCHJYFZSA-N 1 1 377.507 3.594 50 30 GHEAMO C=CCN(Cc1ccc(F)cc1)Cc1cccc(-c2nc(CC[NH3+])cc(=O)[nH]2)c1 ZINC000023505873 518781779 /nfs/dbraw/zinc/78/17/79/518781779.db2.gz NHRRDJPDERZJFL-UHFFFAOYSA-N 1 1 392.478 3.678 50 30 GHEAMO C=CCSc1nnc([C@@H]2CCC[N@H+](Cc3cccc(OCC)c3O)C2)n1C ZINC000014982783 519091810 /nfs/dbraw/zinc/09/18/10/519091810.db2.gz VJVIRAPNZQBBDB-MRXNPFEDSA-N 1 1 388.537 3.577 50 30 GHEAMO C[N@H+](C[C@H](O)COc1cccc(CN2CCC(C)(C#N)CC2)c1)C1CCCCC1 ZINC000095505598 523097559 /nfs/dbraw/zinc/09/75/59/523097559.db2.gz CMAXZNJSWDXWCU-QFIPXVFZSA-N 1 1 399.579 3.816 50 30 GHEAMO C[N@@H+](C[C@H](O)COc1cccc(CN2CCC(C)(C#N)CC2)c1)C1CCCCC1 ZINC000095505598 523097566 /nfs/dbraw/zinc/09/75/66/523097566.db2.gz CMAXZNJSWDXWCU-QFIPXVFZSA-N 1 1 399.579 3.816 50 30 GHEAMO CN(Cc1ccc(C#CCCO)cc1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000020212486 523204261 /nfs/dbraw/zinc/20/42/61/523204261.db2.gz VLXANGHJFIZMRZ-VWLOTQADSA-N 1 1 376.544 3.559 50 30 GHEAMO C[N@H+](Cc1ccc(C#CCCO)cc1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000020212486 523204271 /nfs/dbraw/zinc/20/42/71/523204271.db2.gz VLXANGHJFIZMRZ-VWLOTQADSA-N 1 1 376.544 3.559 50 30 GHEAMO C[N@@H+](Cc1ccc(C#CCCO)cc1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000020212486 523204286 /nfs/dbraw/zinc/20/42/86/523204286.db2.gz VLXANGHJFIZMRZ-VWLOTQADSA-N 1 1 376.544 3.559 50 30 GHEAMO N[C@H](c1c(F)c(F)c(F)c(F)c1F)[C@H]([NH3+])c1c(F)c(F)c(F)c(F)c1F ZINC000100031920 527391244 /nfs/dbraw/zinc/39/12/44/527391244.db2.gz FUWCXGXKHYMDGK-ZIAGYGMSSA-N 1 1 392.196 3.777 50 30 GHEAMO C=CCN(CC=C)Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000012076063 570234955 /nfs/dbraw/zinc/23/49/55/570234955.db2.gz GIZUKLYBCOOYTH-DEOSSOPVSA-N 1 1 392.543 3.659 50 30 GHEAMO OCC#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3)s1 ZINC000015074274 570246032 /nfs/dbraw/zinc/24/60/32/570246032.db2.gz KIJLCXRVDCPMFR-QHCPKHFHSA-N 1 1 398.547 3.719 50 30 GHEAMO OCC#Cc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)s1 ZINC000015074274 570246035 /nfs/dbraw/zinc/24/60/35/570246035.db2.gz KIJLCXRVDCPMFR-QHCPKHFHSA-N 1 1 398.547 3.719 50 30 GHEAMO OCC#Cc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)s1 ZINC000015074274 570246037 /nfs/dbraw/zinc/24/60/37/570246037.db2.gz KIJLCXRVDCPMFR-QHCPKHFHSA-N 1 1 398.547 3.719 50 30 GHEAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCC(C)CC2)c(OC)c1 ZINC000012862072 570268248 /nfs/dbraw/zinc/26/82/48/570268248.db2.gz JWHOJHCDUUTIKX-GTPZEUEISA-N 1 1 399.535 3.772 50 30 GHEAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCC(C)CC2)c(OC)c1 ZINC000012862072 570268252 /nfs/dbraw/zinc/26/82/52/570268252.db2.gz 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C[N@@H+](C[C@H](O)COc1ccccc1CN1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000095528288 571091947 /nfs/dbraw/zinc/09/19/47/571091947.db2.gz HSSBPHBXRBQNPX-QFIPXVFZSA-N 1 1 399.579 3.816 50 30 GHEAMO C[C@@H]1CC[C@H]2[C@@H](C[N@H+]3CCc4ccccc4C3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000012862226 928035926 /nfs/dbraw/zinc/03/59/26/928035926.db2.gz LDYXBXJFQRMXDU-BKAUZXKHSA-N 1 1 381.516 3.570 50 30 biogenic GHEAMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000047261967 205109885 /nfs/dbraw/zinc/10/98/85/205109885.db2.gz FMDZOGQVSAEBTA-MRXNPFEDSA-N 1 1 399.292 3.566 50 30 GHEAMO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C3=CC(=O)CC(C)(C)O3)C2)cc1 ZINC000011754022 519436686 /nfs/dbraw/zinc/43/66/86/519436686.db2.gz LMZZMFSUYSJSCU-FQEVSTJZSA-N 1 1 398.547 3.618 50 30 GHEAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C3=CC(=O)CC(C)(C)O3)C2)cc1 ZINC000011754022 519436693 /nfs/dbraw/zinc/43/66/93/519436693.db2.gz LMZZMFSUYSJSCU-FQEVSTJZSA-N 1 1 398.547 3.618 50 30 GHEAMO COc1ccc(Br)cc1C=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000239030704 523493779 /nfs/dbraw/zinc/49/37/79/523493779.db2.gz CIFIQJIGRXQZDP-UHFFFAOYSA-N 1 1 388.309 3.609 50 30 GHEAMO C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCCC[NH+]1CCOCC1 ZINC000020547717 570283744 /nfs/dbraw/zinc/28/37/44/570283744.db2.gz PUJSOLLWPSSYQE-UHFFFAOYSA-N 1 1 391.519 3.567 50 30 GHEAMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012950910 570318669 /nfs/dbraw/zinc/31/86/69/570318669.db2.gz QRPLSNGRSOEHCR-LSDHHAIUSA-N 1 1 375.538 3.717 50 30 GHEAMO CCOc1ccc(-c2nc(C#N)c(N3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000054061434 205139594 /nfs/dbraw/zinc/13/95/94/205139594.db2.gz CDDOXDZCALGTNA-UHFFFAOYSA-N 1 1 388.471 3.934 50 30 GHEAMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025230115 518780966 /nfs/dbraw/zinc/78/09/66/518780966.db2.gz XQRDOGFRHZVEHW-INIZCTEOSA-N 1 1 376.909 3.895 50 30 GHEAMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025230115 518780969 /nfs/dbraw/zinc/78/09/69/518780969.db2.gz XQRDOGFRHZVEHW-INIZCTEOSA-N 1 1 376.909 3.895 50 30 GHEAMO C[C@@H](Oc1cccc(Cl)c1)C(=O)ONC(=[NH2+])c1ccc(Br)cc1 ZINC000004978617 525942803 /nfs/dbraw/zinc/94/28/03/525942803.db2.gz IMEYZJZMKFFCGG-SNVBAGLBSA-N 1 1 397.656 3.734 50 30 GHEAMO C=C(C)CC[C@H](C)[NH+]1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000011938636 570234506 /nfs/dbraw/zinc/23/45/06/570234506.db2.gz WPLBDFLWSRYDLC-FQEVSTJZSA-N 1 1 398.595 3.619 50 30 GHEAMO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccco1)C2 ZINC000014749957 570246217 /nfs/dbraw/zinc/24/62/17/570246217.db2.gz HWVPCARGCCTDTH-GOSISDBHSA-N 1 1 396.535 3.668 50 30 GHEAMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1Cl ZINC000333078826 570725960 /nfs/dbraw/zinc/72/59/60/570725960.db2.gz AJSNQICNJUKORH-MISYRCLQSA-N 1 1 389.927 3.946 50 30 GHEAMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC000333078828 570726037 /nfs/dbraw/zinc/72/60/37/570726037.db2.gz AJSNQICNJUKORH-SXLOBPIMSA-N 1 1 389.927 3.946 50 30 GHEAMO CC[NH+]1CCN(c2oc(COc3ccc(Cl)cc3Cl)nc2C#N)CC1 ZINC000002418084 858510668 /nfs/dbraw/zinc/51/06/68/858510668.db2.gz UEGPWSMKVTXMKK-UHFFFAOYSA-N 1 1 381.263 3.574 50 30 GHEAMO C=CCOc1ccc(/C=C\C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000096925965 915200705 /nfs/dbraw/zinc/20/07/05/915200705.db2.gz NYJSUCRLCOMXSB-BUVUWQSRSA-N 1 1 392.499 3.789 50 30 GHEAMO C=CCOc1ccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000096925965 915200716 /nfs/dbraw/zinc/20/07/16/915200716.db2.gz NYJSUCRLCOMXSB-BUVUWQSRSA-N 1 1 392.499 3.789 50 30 GHEAMO COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000062580327 205185383 /nfs/dbraw/zinc/18/53/83/205185383.db2.gz USYQJDLTVUVLSK-GOSISDBHSA-N 1 1 383.879 3.866 50 30 GHEAMO Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)n1 ZINC000095507326 136180438 /nfs/dbraw/zinc/18/04/38/136180438.db2.gz GSCSIWMMHUEOOK-MRXNPFEDSA-N 1 1 378.505 3.655 50 30 GHEAMO C=CCOc1ccccc1C[N@@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000014963372 519071519 /nfs/dbraw/zinc/07/15/19/519071519.db2.gz QZLJMAFFRHUAOC-UHFFFAOYSA-N 1 1 388.515 3.686 50 30 GHEAMO CCc1ccc(OCC(=O)ONC(=[NH2+])c2cccc(C)c2)c(Br)c1 ZINC000004978287 524005163 /nfs/dbraw/zinc/00/51/63/524005163.db2.gz ALDDBTPVNWSPSP-UHFFFAOYSA-N 1 1 391.265 3.562 50 30 GHEAMO OCCC#Cc1ccc(CNCC2([NH+]3CCCCC3)Cc3ccccc3C2)cc1 ZINC000019228379 527531393 /nfs/dbraw/zinc/53/13/93/527531393.db2.gz CONLUQINKQPHFR-UHFFFAOYSA-N 1 1 388.555 3.534 50 30 GHEAMO O=C(CC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)NCc1ccccc1F ZINC000012093203 570235028 /nfs/dbraw/zinc/23/50/28/570235028.db2.gz YVLVFAKYDPAXBC-NRFANRHFSA-N 1 1 378.491 3.986 50 30 GHEAMO C=CCOc1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(CCC(C)=O)cc2)cc1 ZINC000005859319 570797702 /nfs/dbraw/zinc/79/77/02/570797702.db2.gz AERZPGPMSZKQKX-QFIPXVFZSA-N 1 1 397.515 3.645 50 30 GHEAMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC(=O)N(Cc3ccc(C(=O)OC)cc3)CC2)CC1 ZINC000014994997 919353269 /nfs/dbraw/zinc/35/32/69/919353269.db2.gz VWQRWDOOZVDIFL-OAQYLSRUSA-N 1 1 396.531 3.810 50 30 GHEAMO Cc1sc2nc(C)nc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2c1C ZINC000033010793 207429848 /nfs/dbraw/zinc/42/98/48/207429848.db2.gz DVWBBYBSYKBNDA-UHFFFAOYSA-N 1 1 377.517 3.810 50 30 GHEAMO C=CCOc1cccc(C[N@@H+](C)Cc2cn(CCC(N)=O)c3ccccc23)c1 ZINC000055309232 519052965 /nfs/dbraw/zinc/05/29/65/519052965.db2.gz APAYCDINQXQIEZ-UHFFFAOYSA-N 1 1 377.488 3.714 50 30 GHEAMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000048375194 570249210 /nfs/dbraw/zinc/24/92/10/570249210.db2.gz LJBXQHYZUQVAAE-LJQANCHMSA-N 1 1 376.504 3.714 50 30 GHEAMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000048375194 570249212 /nfs/dbraw/zinc/24/92/12/570249212.db2.gz LJBXQHYZUQVAAE-LJQANCHMSA-N 1 1 376.504 3.714 50 30 GHEAMO CC(=[NH+]Nc1ccc(F)cc1)c1ccc(N2CCN(CCC#N)CC2)c(F)c1 ZINC000022078816 844145725 /nfs/dbraw/zinc/14/57/25/844145725.db2.gz BMSPKMXLTCNRRD-XYGWBWBKSA-N 1 1 383.446 3.837 50 30 GHEAMO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)C1(C#N)CCCCC1 ZINC000008157208 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Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CC[NH+](C)CC4)o3)o2)cc1C ZINC000033027211 570663927 /nfs/dbraw/zinc/66/39/27/570663927.db2.gz LUDCAHAPABRQBI-UHFFFAOYSA-N 1 1 392.459 3.754 50 30 GHEAMO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000036398559 570683451 /nfs/dbraw/zinc/68/34/51/570683451.db2.gz RECVXAWEOQRRLQ-RTBURBONSA-N 1 1 391.515 3.874 50 30 GHEAMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1c1ncnc2cc(Cl)ccc21 ZINC000170596344 570854774 /nfs/dbraw/zinc/85/47/74/570854774.db2.gz NAMBZPPKQMPNDW-OAHLLOKOSA-N 1 1 377.879 3.866 50 30 GHEAMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000229505753 570979221 /nfs/dbraw/zinc/97/92/21/570979221.db2.gz JUDPOPMIOZLRGO-HXUWFJFHSA-N 1 1 389.421 3.823 50 30 GHEAMO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000012786491 571039334 /nfs/dbraw/zinc/03/93/34/571039334.db2.gz FNWSOCPPBLYVNV-UHFFFAOYSA-N 1 1 377.444 3.670 50 30 GHEAMO CC(=O)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C(C)C)C3)cc1 ZINC000040150664 856684045 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397.519 3.550 50 30 GHEAMO CCCOc1ccc(C(=O)ONC(=[NH2+])c2ccc(Br)cc2)cc1 ZINC000004659719 520338294 /nfs/dbraw/zinc/33/82/94/520338294.db2.gz ZRPGJQCONOGPBB-UHFFFAOYSA-N 1 1 377.238 3.715 50 30 GHEAMO COc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1 ZINC000012449521 570237498 /nfs/dbraw/zinc/23/74/98/570237498.db2.gz PQESDQHHXWJEPL-JOCHJYFZSA-N 1 1 378.516 3.894 50 30 GHEAMO CCOc1cc(/C=N/N2CC[NH+](C)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000001151121 570249163 /nfs/dbraw/zinc/24/91/63/570249163.db2.gz FIBTUSIYPRLKKW-HZHRSRAPSA-N 1 1 387.911 3.899 50 30 GHEAMO CC[NH+]1CCN(c2oc(-c3ccc(OCc4ccccc4)cc3)nc2C#N)CC1 ZINC000005150836 570428552 /nfs/dbraw/zinc/42/85/52/570428552.db2.gz AEQJOTROIMHRGC-UHFFFAOYSA-N 1 1 388.471 3.934 50 30 GHEAMO N#Cc1ccc(CN2CCC[N@H+](CCC(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000025933995 571002087 /nfs/dbraw/zinc/00/20/87/571002087.db2.gz PAGMOGXLSSFDBR-UHFFFAOYSA-N 1 1 396.922 3.748 50 30 GHEAMO N#Cc1ccc(C[N@H+]2CCCN(CCC(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000025933995 571002088 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NC(=NC(=O)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013153695 526805048 /nfs/dbraw/zinc/80/50/48/526805048.db2.gz NDQXCKYZVUDLHT-UHFFFAOYSA-N 1 1 398.510 3.549 50 30 GHEAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCC(C)CC2)c(OC)c1 ZINC000012862077 570268142 /nfs/dbraw/zinc/26/81/42/570268142.db2.gz JWHOJHCDUUTIKX-WEQDKIBNSA-N 1 1 399.535 3.772 50 30 GHEAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCC(C)CC2)c(OC)c1 ZINC000012862077 570268145 /nfs/dbraw/zinc/26/81/45/570268145.db2.gz JWHOJHCDUUTIKX-WEQDKIBNSA-N 1 1 399.535 3.772 50 30 GHEAMO N#Cc1ccccc1CN1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072139054 570312131 /nfs/dbraw/zinc/31/21/31/570312131.db2.gz JHZMMORBCIZIOQ-YTFSRNRJSA-N 1 1 379.454 3.899 50 30 GHEAMO N#Cc1ccccc1C[N@@H+]1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072171556 570312690 /nfs/dbraw/zinc/31/26/90/570312690.db2.gz JHZMMORBCIZIOQ-DNVJHFABSA-N 1 1 379.454 3.899 50 30 GHEAMO N#Cc1ccccc1CN1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072171556 570312694 /nfs/dbraw/zinc/31/26/94/570312694.db2.gz JHZMMORBCIZIOQ-DNVJHFABSA-N 1 1 379.454 3.899 50 30 GHEAMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000032769759 570803839 /nfs/dbraw/zinc/80/38/39/570803839.db2.gz SXQAFVOVRFIXJQ-AWEZNQCLSA-N 1 1 382.869 3.738 50 30 GHEAMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000032769759 570803841 /nfs/dbraw/zinc/80/38/41/570803841.db2.gz SXQAFVOVRFIXJQ-AWEZNQCLSA-N 1 1 382.869 3.738 50 30 GHEAMO N#Cc1cccc(CN2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000023148233 570920012 /nfs/dbraw/zinc/92/00/12/570920012.db2.gz VWFJLPLNSIYYAI-UHFFFAOYSA-N 1 1 375.394 3.775 50 30 GHEAMO Cc1nn(-c2ccccc2)c(Cl)c1C=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000254446867 852227974 /nfs/dbraw/zinc/22/79/74/852227974.db2.gz ODOOYRXEBHUWCY-UHFFFAOYSA-N 1 1 393.922 3.986 50 30 GHEAMO C[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1cccc2ccccc21 ZINC000008345153 856133592 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3.788 50 30 GHEAMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1c1ncnc2sc3c(c21)CCC3 ZINC000170596349 570854696 /nfs/dbraw/zinc/85/46/96/570854696.db2.gz KKFQIMCDNZIRSL-HNNXBMFYSA-N 1 1 389.528 3.762 50 30 GHEAMO C[N@H+](C[C@@H](O)COc1ccccc1CN1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000095528287 571092018 /nfs/dbraw/zinc/09/20/18/571092018.db2.gz HSSBPHBXRBQNPX-JOCHJYFZSA-N 1 1 399.579 3.816 50 30 GHEAMO C[N@@H+](C[C@@H](O)COc1ccccc1CN1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000095528287 571092019 /nfs/dbraw/zinc/09/20/19/571092019.db2.gz HSSBPHBXRBQNPX-JOCHJYFZSA-N 1 1 399.579 3.816 50 30 GHEAMO OCC#Cc1csc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000828644664 865329966 /nfs/dbraw/zinc/32/99/66/865329966.db2.gz UPMQWQTYTORJNR-SFHVURJKSA-N 1 1 379.485 3.522 50 30 GHEAMO COCCO[C@@H]1C[N@@H+](C2CCN(Cc3cccc(C#N)c3)CC2)C12CCCCC2 ZINC000575317542 865991381 /nfs/dbraw/zinc/99/13/81/865991381.db2.gz XWWXSCOZOZAJAV-HSZRJFAPSA-N 1 1 397.563 3.573 50 30 GHEAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CCc5ccccc5C4)[C@H]3[C@@H]3O[C@]312 ZINC000012659992 927407210 /nfs/dbraw/zinc/40/72/10/927407210.db2.gz YRYDGSXOQSVDAV-QVWGPJDHSA-N 1 1 381.516 3.570 50 30 biogenic GHEAMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025230110 518780271 /nfs/dbraw/zinc/78/02/71/518780271.db2.gz XQRDOGFRHZVEHW-MRXNPFEDSA-N 1 1 376.909 3.895 50 30 GHEAMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025230110 518780278 /nfs/dbraw/zinc/78/02/78/518780278.db2.gz XQRDOGFRHZVEHW-MRXNPFEDSA-N 1 1 376.909 3.895 50 30 GHEAMO C=CCn1c(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nnc1-c1ccc(Cl)cc1 ZINC000095460210 519235322 /nfs/dbraw/zinc/23/53/22/519235322.db2.gz CNPJIFWEBVOIHC-CALCHBBNSA-N 1 1 390.940 3.740 50 30 GHEAMO C=CCn1nc(C)c(C[N@@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)c1C ZINC000426727402 527389776 /nfs/dbraw/zinc/38/97/76/527389776.db2.gz JAGKVXQZZRCZMD-IEIRFRATSA-N 1 1 396.535 3.672 50 30 GHEAMO Cc1cccc(OCC[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000024680056 570389633 /nfs/dbraw/zinc/38/96/33/570389633.db2.gz SDYFDJPSFWGPLA-IBGZPJMESA-N 1 1 386.455 3.543 50 30 GHEAMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801417 570908423 /nfs/dbraw/zinc/90/84/23/570908423.db2.gz FDDSUDWOSMMJEV-GOSISDBHSA-N 1 1 399.498 3.646 50 30 GHEAMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801417 570908425 /nfs/dbraw/zinc/90/84/25/570908425.db2.gz FDDSUDWOSMMJEV-GOSISDBHSA-N 1 1 399.498 3.646 50 30 GHEAMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccsc1 ZINC000058932124 862719716 /nfs/dbraw/zinc/71/97/16/862719716.db2.gz DZVPWZCIXPUPFZ-QGZVFWFLSA-N 1 1 397.953 3.635 50 30 GHEAMO CC(C)[N@@H+]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3)sc2C1 ZINC000002272190 860566392 /nfs/dbraw/zinc/56/63/92/860566392.db2.gz HMAGRFYYXYDZQF-UHFFFAOYSA-N 1 1 384.530 3.513 50 30 GHEAMO CC(C)[N@H+]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3)sc2C1 ZINC000002272190 860566398 /nfs/dbraw/zinc/56/63/98/860566398.db2.gz HMAGRFYYXYDZQF-UHFFFAOYSA-N 1 1 384.530 3.513 50 30 GHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCC[C@@H](C(=O)OCC)C4)[C@H]3C[C@@H]12 ZINC000004082809 912259212 /nfs/dbraw/zinc/25/92/12/912259212.db2.gz WPQMZZXIPRONLR-KQKBASFTSA-N 1 1 389.536 3.576 50 30 biogenic GHEAMO O/N=C(\c1ncc(C(F)(F)F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020365177 207190054 /nfs/dbraw/zinc/19/00/54/207190054.db2.gz IPUWUECHBMZJSD-JJIBRWJFSA-N 1 1 398.816 3.707 50 30 GHEAMO C[C@@H](SCc1ccccc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000089420150 208103986 /nfs/dbraw/zinc/10/39/86/208103986.db2.gz HNVUPDGPQQITQL-LJQANCHMSA-N 1 1 393.556 3.914 50 30 GHEAMO C[C@@H](SCc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000089420150 208103991 /nfs/dbraw/zinc/10/39/91/208103991.db2.gz HNVUPDGPQQITQL-LJQANCHMSA-N 1 1 393.556 3.914 50 30 GHEAMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000048375195 570249262 /nfs/dbraw/zinc/24/92/62/570249262.db2.gz LJBXQHYZUQVAAE-IBGZPJMESA-N 1 1 376.504 3.714 50 30 GHEAMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000048375195 570249265 /nfs/dbraw/zinc/24/92/65/570249265.db2.gz LJBXQHYZUQVAAE-IBGZPJMESA-N 1 1 376.504 3.714 50 30 GHEAMO Cc1cccc(C(=[NH2+])NOC(=O)COc2cc(C)c(Br)c(C)c2)c1 ZINC000004845320 570411540 /nfs/dbraw/zinc/41/15/40/570411540.db2.gz RMXJUSNXTFJULT-UHFFFAOYSA-N 1 1 391.265 3.617 50 30 GHEAMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000032769030 570803504 /nfs/dbraw/zinc/80/35/04/570803504.db2.gz HEQKAKOOQUIYHP-LEWJYISDSA-N 1 1 395.499 3.763 50 30 GHEAMO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801416 570908357 /nfs/dbraw/zinc/90/83/57/570908357.db2.gz FDDSUDWOSMMJEV-SFHVURJKSA-N 1 1 399.498 3.646 50 30 GHEAMO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801416 570908359 /nfs/dbraw/zinc/90/83/59/570908359.db2.gz FDDSUDWOSMMJEV-SFHVURJKSA-N 1 1 399.498 3.646 50 30 GHEAMO C=CCOc1ccccc1CN1CC[N@H+](Cc2ccccc2C)[C@H](CCO)C1 ZINC000104401411 841559257 /nfs/dbraw/zinc/55/92/57/841559257.db2.gz UGHUCHALUPHRKV-HSZRJFAPSA-N 1 1 380.532 3.629 50 30 GHEAMO C[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C(C)(C)C)cc3)c(C#N)cc2C1 ZINC000019852657 207165707 /nfs/dbraw/zinc/16/57/07/207165707.db2.gz CCVQJOYTLOBDDL-UHFFFAOYSA-N 1 1 394.544 3.969 50 30 GHEAMO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)nc3)CC2)cc1 ZINC000096148901 208273729 /nfs/dbraw/zinc/27/37/29/208273729.db2.gz YXTDOBAYHHNNKA-UHFFFAOYSA-N 1 1 377.492 3.600 50 30 GHEAMO C=C(C)CC[C@@H](C)[NH+]1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012307819 518589464 /nfs/dbraw/zinc/58/94/64/518589464.db2.gz RIQFAJAAVDRRQX-HXUWFJFHSA-N 1 1 398.595 3.619 50 30 GHEAMO OCC[N@@H+](CC#CC[C@](O)(c1ccccc1)C1CCCC1)Cc1ccccc1 ZINC000067191234 527547733 /nfs/dbraw/zinc/54/77/33/527547733.db2.gz IGMDWLAMTIDLGJ-VWLOTQADSA-N 1 1 377.528 3.952 50 30 GHEAMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1Cl ZINC000333078825 570725970 /nfs/dbraw/zinc/72/59/70/570725970.db2.gz AJSNQICNJUKORH-DFQSSKMNSA-N 1 1 389.927 3.946 50 30 GHEAMO N#Cc1cccc(C[N@@H+]2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000071662076 570883766 /nfs/dbraw/zinc/88/37/66/570883766.db2.gz SNLHOFAWDNXKTI-UEVCKROQSA-N 1 1 379.454 3.899 50 30 GHEAMO C=CCc1ccc(OCC(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(OC)c1 ZINC000106149870 570948687 /nfs/dbraw/zinc/94/86/87/570948687.db2.gz JEPBPCIQSFCMSC-NSHGMRRFSA-N 1 1 386.536 3.666 50 30 GHEAMO C=C(C)Cn1nc(C)c(CCC(=O)N(C)C[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1C ZINC000299754376 861291116 /nfs/dbraw/zinc/29/11/16/861291116.db2.gz FCSPNRIJBMXIIB-IRLDBZIGSA-N 1 1 386.584 3.732 50 30 biogenic GHEAMO C[NH+]1CCN(c2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)CC1 ZINC000008654621 856311451 /nfs/dbraw/zinc/31/14/51/856311451.db2.gz MJQKPRZPCYHIGR-UHFFFAOYSA-N 1 1 398.850 3.790 50 30 GHEAMO N#Cc1cccc(/C=C/C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000069327605 856769530 /nfs/dbraw/zinc/76/95/30/856769530.db2.gz UEFXTFUXGUEOGU-FNORWQNLSA-N 1 1 381.426 3.630 50 30 GHEAMO Cc1c2oc(=O)cc(-c3ccccc3)c2cc2c1OC1(CC[NH2+]CC1)C/C2=N\O ZINC000827602382 865036618 /nfs/dbraw/zinc/03/66/18/865036618.db2.gz FNYLTFQJOLVJJV-NCELDCMTSA-N 1 1 390.439 3.851 50 30 GHEAMO N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CC[NH+](CCc2ccccn2)CC1 ZINC000096345983 208310123 /nfs/dbraw/zinc/31/01/23/208310123.db2.gz KNDZVZRGLBDYCA-SFTDATJTSA-N 1 1 399.498 3.577 50 30 GHEAMO C=CCCC(=O)OC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1COC(=O)CCC=C ZINC000095450736 518697201 /nfs/dbraw/zinc/69/72/01/518697201.db2.gz ACUMJCXWQGTCHO-OYRHEFFESA-N 1 1 385.504 3.753 50 30 GHEAMO CC[C@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000012528055 570832568 /nfs/dbraw/zinc/83/25/68/570832568.db2.gz VYQDSPVVWIHTOV-QGZVFWFLSA-N 1 1 394.504 3.706 50 30 GHEAMO [NH2+]=C(NOC(=O)[C@@H]1C[C@H]1c1ccccc1F)c1cccc(Br)c1 ZINC000008986402 922495256 /nfs/dbraw/zinc/49/52/56/922495256.db2.gz KTHBXOVWKFZTNS-UONOGXRCSA-N 1 1 377.213 3.555 50 30 GHEAMO FC(F)C(F)(F)CN1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000097020403 231002127 /nfs/dbraw/zinc/00/21/27/231002127.db2.gz XCAHOVYQRKSCTP-UHFFFAOYSA-N 1 1 388.327 3.646 50 30 GHEAMO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000229706353 222710175 /nfs/dbraw/zinc/71/01/75/222710175.db2.gz RECVXAWEOQRRLQ-MOPGFXCFSA-N 1 1 391.515 3.874 50 30 GHEAMO Cc1csc2nc(C)nc(N3CC[N@H+](Cc4ccc(C#N)cc4)C[C@@H]3C)c12 ZINC000239667971 209017740 /nfs/dbraw/zinc/01/77/40/209017740.db2.gz BSKWDNFFTBJRTL-HNNXBMFYSA-N 1 1 377.517 3.891 50 30 GHEAMO C#Cc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000014978873 518359250 /nfs/dbraw/zinc/35/92/50/518359250.db2.gz RZIZHOZEGKXQQQ-HWBMXIPRSA-N 1 1 386.495 3.615 50 30 GHEAMO C#Cc1cccc(NC(=O)c2nnn(-c3cccc4c3CC[N@H+](C(C)C)C4)c2C)c1 ZINC000069893360 518367163 /nfs/dbraw/zinc/36/71/63/518367163.db2.gz KZJMRUORNZTCDX-UHFFFAOYSA-N 1 1 399.498 3.576 50 30 GHEAMO C[NH+]=C(Nc1ccc(C)c(C)c1)S[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000013370806 523670057 /nfs/dbraw/zinc/67/00/57/523670057.db2.gz WSIKUVDZKVQLGC-GOSISDBHSA-N 1 1 397.500 3.584 50 30 GHEAMO Cc1cc(Cl)ccc1OCC(=O)ONC(=[NH2+])c1ccc(Br)cc1 ZINC000005034825 524904601 /nfs/dbraw/zinc/90/46/01/524904601.db2.gz ZDKNYEAOUVRXBS-UHFFFAOYSA-N 1 1 397.656 3.653 50 30 GHEAMO O=C1Nc2ccccc2/C1=N/N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000017293503 527090557 /nfs/dbraw/zinc/09/05/57/527090557.db2.gz WGOVHWYNXLUYOQ-UHFFFAOYSA-N 1 1 396.494 3.750 50 30 GHEAMO OCC#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3)s1 ZINC000015074273 570246558 /nfs/dbraw/zinc/24/65/58/570246558.db2.gz KIJLCXRVDCPMFR-HSZRJFAPSA-N 1 1 398.547 3.719 50 30 GHEAMO OCC#Cc1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)s1 ZINC000015074273 570246563 /nfs/dbraw/zinc/24/65/63/570246563.db2.gz KIJLCXRVDCPMFR-HSZRJFAPSA-N 1 1 398.547 3.719 50 30 GHEAMO OCC#Cc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)s1 ZINC000015074273 570246568 /nfs/dbraw/zinc/24/65/68/570246568.db2.gz KIJLCXRVDCPMFR-HSZRJFAPSA-N 1 1 398.547 3.719 50 30 GHEAMO C=CCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036156291 570553751 /nfs/dbraw/zinc/55/37/51/570553751.db2.gz WELJXGHXHRBZRE-FQEVSTJZSA-N 1 1 399.535 3.717 50 30 GHEAMO Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c1C#N ZINC000252444048 570957262 /nfs/dbraw/zinc/95/72/62/570957262.db2.gz VYHNSEOHRIBXOP-UFYCRDLUSA-N 1 1 398.551 3.606 50 30 GHEAMO C=C(C)Cn1nc(C)c(CCC(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1C ZINC000253400689 855019730 /nfs/dbraw/zinc/01/97/30/855019730.db2.gz FCSPNRIJBMXIIB-RBBKRZOGSA-N 1 1 386.584 3.732 50 30 biogenic GHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)C[C@@H](O)c4cccc(O)c4)[C@H]3C[C@@H]12 ZINC000252695163 859673994 /nfs/dbraw/zinc/67/39/94/859673994.db2.gz VUCLZXQOYVRHRE-DTRVVKHVSA-N 1 1 399.531 3.672 50 30 biogenic GHEAMO CC(C)(C)[N@H+]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3)sc2C1 ZINC000002260788 860467781 /nfs/dbraw/zinc/46/77/81/860467781.db2.gz QPHZVKOEOOKOND-UHFFFAOYSA-N 1 1 398.557 3.903 50 30 GHEAMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)cc1F ZINC000023055270 207268696 /nfs/dbraw/zinc/26/86/96/207268696.db2.gz NDGUPADSKCGWDI-UHFFFAOYSA-N 1 1 375.444 3.847 50 30 GHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)C[C@@H](O)c4ccc(O)cc4)[C@H]3C[C@@H]12 ZINC000004073597 862754768 /nfs/dbraw/zinc/75/47/68/862754768.db2.gz OBTXHSTWEOYBKT-YPFPNKMGSA-N 1 1 399.531 3.672 50 30 biogenic GHEAMO CCOCCCNC(=[NH+]CC(C)C)[C@H](C#N)c1nc(-c2ccncc2)cs1 ZINC000225503790 856559557 /nfs/dbraw/zinc/55/95/57/856559557.db2.gz OVMKXYVZOWONHK-KRWDZBQOSA-N 1 1 385.537 3.883 50 30 GHEAMO COc1ccc(C(C)=O)cc1CO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000254752552 916976028 /nfs/dbraw/zinc/97/60/28/916976028.db2.gz WUXXJRSTKQCFMN-UHFFFAOYSA-N 1 1 397.431 3.957 50 30 GHEAMO N#Cc1ccc(C[NH+]2CCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)cc1 ZINC000014138887 207012868 /nfs/dbraw/zinc/01/28/68/207012868.db2.gz SAQYMNSZCCZAQB-UHFFFAOYSA-N 1 1 397.404 3.842 50 30 GHEAMO C[N@@H+](CCOc1ccccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095954496 208241392 /nfs/dbraw/zinc/24/13/92/208241392.db2.gz JCOGFZTXCVNGBR-HKUYNNGSSA-N 1 1 377.271 3.834 50 30 GHEAMO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2F)c1 ZINC000054668286 524118969 /nfs/dbraw/zinc/11/89/69/524118969.db2.gz UXHWDCYCADYWHK-FQEVSTJZSA-N 1 1 381.451 3.918 50 30 GHEAMO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2F)c1 ZINC000054668286 524118972 /nfs/dbraw/zinc/11/89/72/524118972.db2.gz UXHWDCYCADYWHK-FQEVSTJZSA-N 1 1 381.451 3.918 50 30 GHEAMO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000036398560 570683545 /nfs/dbraw/zinc/68/35/45/570683545.db2.gz RECVXAWEOQRRLQ-RBUKOAKNSA-N 1 1 391.515 3.874 50 30 GHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCC[C@@H](C(=O)OCC)C4)[C@H]3C[C@@H]12 ZINC000105377651 570923007 /nfs/dbraw/zinc/92/30/07/570923007.db2.gz WPQMZZXIPRONLR-TYUQVFQOSA-N 1 1 389.536 3.576 50 30 biogenic GHEAMO C[C@H](C(=O)N(C)C1(C#N)CCCCC1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000008532491 856251671 /nfs/dbraw/zinc/25/16/71/856251671.db2.gz JEPYXVPYNMKHQG-MRXNPFEDSA-N 1 1 377.916 3.724 50 30 GHEAMO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@H+]1CCc2ccccc2C1 ZINC000004028450 913081905 /nfs/dbraw/zinc/08/19/05/913081905.db2.gz QRQMVOJVQOCKSG-FWDUKEBRSA-N 1 1 381.516 3.572 50 30 biogenic GHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](CCO)Cc4ccccc4)[C@H]3C[C@@H]12 ZINC000004023756 907239669 /nfs/dbraw/zinc/23/96/69/907239669.db2.gz CCZWGDIGLXBWNJ-WKKMNAASSA-N 1 1 383.532 3.795 50 30 biogenic GHEAMO C=CCOc1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000012887311 206245137 /nfs/dbraw/zinc/24/51/37/206245137.db2.gz NYJSUCRLCOMXSB-ZOXUKVPXSA-N 1 1 392.499 3.789 50 30 GHEAMO C=CCOc1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000012887311 206245142 /nfs/dbraw/zinc/24/51/42/206245142.db2.gz NYJSUCRLCOMXSB-ZOXUKVPXSA-N 1 1 392.499 3.789 50 30 GHEAMO CC[C@@H]1C[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)Cc2cc(OC)ccc2O1 ZINC000014981813 523453659 /nfs/dbraw/zinc/45/36/59/523453659.db2.gz YJHQIKUNZKWLBA-OAQYLSRUSA-N 1 1 379.500 3.991 50 30 GHEAMO Cc1cc(OCC(=O)ONC(=[NH2+])c2ccc(Br)cc2)ccc1Cl ZINC000004725382 525367281 /nfs/dbraw/zinc/36/72/81/525367281.db2.gz MBDZAZDNPPDPLQ-UHFFFAOYSA-N 1 1 397.656 3.653 50 30 GHEAMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1Cl ZINC000333078827 570726083 /nfs/dbraw/zinc/72/60/83/570726083.db2.gz AJSNQICNJUKORH-RLLQIKCJSA-N 1 1 389.927 3.946 50 30 GHEAMO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000079053411 845797059 /nfs/dbraw/zinc/79/70/59/845797059.db2.gz LIXAZVZBYYKPOY-NRFANRHFSA-N 1 1 389.455 3.716 50 30 GHEAMO N#Cc1ccc(/C=C/C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000069381887 856808557 /nfs/dbraw/zinc/80/85/57/856808557.db2.gz LDPJDRRKKOJOOU-SOFGYWHQSA-N 1 1 381.426 3.630 50 30 GHEAMO Cc1csc2nc(C)nc(N3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]3C)c12 ZINC000225429171 858276681 /nfs/dbraw/zinc/27/66/81/858276681.db2.gz BSKWDNFFTBJRTL-OAHLLOKOSA-N 1 1 377.517 3.891 50 30 GHEAMO OCC#Cc1csc(C[NH+]2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000828644669 865329718 /nfs/dbraw/zinc/32/97/18/865329718.db2.gz WTSWVXUVKVVAIQ-UHFFFAOYSA-N 1 1 395.355 3.717 50 30 GHEAMO N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000014021007 207008363 /nfs/dbraw/zinc/00/83/63/207008363.db2.gz SAAPQMPFBLUIBX-UHFFFAOYSA-N 1 1 386.411 3.784 50 30 GHEAMO COc1ccc(Cl)cc1NC(=O)NCC#CC[N@@H+]1CCc2ccccc2C1 ZINC000077197660 207554087 /nfs/dbraw/zinc/55/40/87/207554087.db2.gz QCVBTUHTABKBTJ-UHFFFAOYSA-N 1 1 383.879 3.532 50 30 GHEAMO COc1ccc(Cl)cc1NC(=O)NCC#CC[N@H+]1CCc2ccccc2C1 ZINC000077197660 207554089 /nfs/dbraw/zinc/55/40/89/207554089.db2.gz QCVBTUHTABKBTJ-UHFFFAOYSA-N 1 1 383.879 3.532 50 30 GHEAMO Cc1cc(C#N)c(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)nc1C ZINC000095525449 136181510 /nfs/dbraw/zinc/18/15/10/136181510.db2.gz OKEQDLJETBVXGE-INIZCTEOSA-N 1 1 378.505 3.655 50 30 GHEAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000014975689 524302437 /nfs/dbraw/zinc/30/24/37/524302437.db2.gz RXRYKVDCLRXGNO-FQEVSTJZSA-N 1 1 395.474 3.663 50 30 GHEAMO N#Cc1nc(COc2ccccc2F)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000054061547 570438327 /nfs/dbraw/zinc/43/83/27/570438327.db2.gz DWJPWZHHIXPTIW-UHFFFAOYSA-N 1 1 392.434 3.587 50 30 GHEAMO C#CCOC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)[C@@H](C)C(C)C ZINC000169678132 570600185 /nfs/dbraw/zinc/60/01/85/570600185.db2.gz CZVPUEKEXVFVJS-WMZHIEFXSA-N 1 1 386.511 3.533 50 30 GHEAMO CSCC[NH+]1CCN(C(=O)c2ccc(-c3ccc(C#N)cc3C)cc2)CC1 ZINC000584901536 570893133 /nfs/dbraw/zinc/89/31/33/570893133.db2.gz NXMLHJCVWCHODI-UHFFFAOYSA-N 1 1 379.529 3.655 50 30 GHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)C[C@@H](O)c4ccc(O)cc4)[C@H]3C[C@@H]12 ZINC000105374643 570923291 /nfs/dbraw/zinc/92/32/91/570923291.db2.gz OBTXHSTWEOYBKT-DTRVVKHVSA-N 1 1 399.531 3.672 50 30 biogenic GHEAMO C=C(C)C[N@H+](CC)[C@H]1CCc2c(c(C(=O)N(C)Cc3ccoc3)nn2CC)C1 ZINC000014532644 919332975 /nfs/dbraw/zinc/33/29/75/919332975.db2.gz WWNWHEZRQLSKMO-SFHVURJKSA-N 1 1 384.524 3.524 50 30 GHEAMO C=CCn1cc(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CCCCC2)C3=O)c(C)n1 ZINC000012315272 206245629 /nfs/dbraw/zinc/24/56/29/206245629.db2.gz YJBIJLFLCUSKSX-HSZRJFAPSA-N 1 1 384.568 3.772 50 30 GHEAMO OCC#Cc1ccc(C[N@@H+]2CCc3onc(-c4ccc(Cl)cc4)c3C2)cc1 ZINC000067642480 207382149 /nfs/dbraw/zinc/38/21/49/207382149.db2.gz CCHVXROHXRXWAY-UHFFFAOYSA-N 1 1 378.859 3.897 50 30 GHEAMO OCC#Cc1ccc(C[N@H+]2CCc3onc(-c4ccc(Cl)cc4)c3C2)cc1 ZINC000067642480 207382153 /nfs/dbraw/zinc/38/21/53/207382153.db2.gz CCHVXROHXRXWAY-UHFFFAOYSA-N 1 1 378.859 3.897 50 30 GHEAMO N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)c1 ZINC000072425320 208022639 /nfs/dbraw/zinc/02/26/39/208022639.db2.gz VYHHFJPQAUXNAO-PZJWPPBQSA-N 1 1 379.529 3.675 50 30 GHEAMO COc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000096131338 208266027 /nfs/dbraw/zinc/26/60/27/208266027.db2.gz VPSYPRCOWADKSX-SFHVURJKSA-N 1 1 378.476 3.601 50 30 GHEAMO N#CCn1c(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)nc2ccccc2c1=O ZINC000023185521 526486813 /nfs/dbraw/zinc/48/68/13/526486813.db2.gz PNJOEBQHWMFPAF-UHFFFAOYSA-N 1 1 397.482 3.781 50 30 GHEAMO Cc1cc(C)c(C#N)c(SCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)n1 ZINC000026014191 570236191 /nfs/dbraw/zinc/23/61/91/570236191.db2.gz PCAFKRDNKPFITA-GOSISDBHSA-N 1 1 394.544 3.568 50 30 GHEAMO C=C(C)CN(CC)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000015064104 570246518 /nfs/dbraw/zinc/24/65/18/570246518.db2.gz XJSXDYGFPWHAGI-QFIPXVFZSA-N 1 1 383.580 3.788 50 30 GHEAMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012950921 570318681 /nfs/dbraw/zinc/31/86/81/570318681.db2.gz QRPLSNGRSOEHCR-HUUCEWRRSA-N 1 1 375.538 3.717 50 30 GHEAMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000237622840 570944446 /nfs/dbraw/zinc/94/44/46/570944446.db2.gz CTPDYSKTKRYXHO-AABGKKOBSA-N 1 1 393.531 3.876 50 30 GHEAMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)c(F)c1 ZINC000012911264 210028438 /nfs/dbraw/zinc/02/84/38/210028438.db2.gz WTVWUQVQGVROKN-UHFFFAOYSA-N 1 1 375.444 3.847 50 30 GHEAMO N#Cc1ccccc1-c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)o1 ZINC000095391576 211236515 /nfs/dbraw/zinc/23/65/15/211236515.db2.gz GFKZZTXOVRNIAF-IEBWSBKVSA-N 1 1 385.471 3.709 50 30 GHEAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000019228790 523352113 /nfs/dbraw/zinc/35/21/13/523352113.db2.gz CZBGZCHWIXKJDJ-DEOSSOPVSA-N 1 1 376.544 3.905 50 30 GHEAMO CN(Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000019228790 523352127 /nfs/dbraw/zinc/35/21/27/523352127.db2.gz CZBGZCHWIXKJDJ-DEOSSOPVSA-N 1 1 376.544 3.905 50 30 GHEAMO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000019228790 523352133 /nfs/dbraw/zinc/35/21/33/523352133.db2.gz CZBGZCHWIXKJDJ-DEOSSOPVSA-N 1 1 376.544 3.905 50 30 GHEAMO N#Cc1ccccc1OCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000059931908 570817912 /nfs/dbraw/zinc/81/79/12/570817912.db2.gz ALXMQUJNQGSHDF-FQEVSTJZSA-N 1 1 378.476 3.613 50 30 GHEAMO CC[C@@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000012528056 570832727 /nfs/dbraw/zinc/83/27/27/570832727.db2.gz VYQDSPVVWIHTOV-KRWDZBQOSA-N 1 1 394.504 3.706 50 30 GHEAMO C=C(C)Cn1nc(C)c(CCC(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1C ZINC000299754377 861291580 /nfs/dbraw/zinc/29/15/80/861291580.db2.gz FCSPNRIJBMXIIB-UNMCSNQZSA-N 1 1 386.584 3.732 50 30 biogenic GHEAMO O=C(NCC#CC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1C(F)(F)F ZINC000077197659 859510560 /nfs/dbraw/zinc/51/05/60/859510560.db2.gz RNIJFFKTRMTHAW-UHFFFAOYSA-N 1 1 387.405 3.889 50 30 GHEAMO O=C(NCC#CC[N@H+]1CCc2ccccc2C1)Nc1ccccc1C(F)(F)F ZINC000077197659 859510565 /nfs/dbraw/zinc/51/05/65/859510565.db2.gz RNIJFFKTRMTHAW-UHFFFAOYSA-N 1 1 387.405 3.889 50 30 GHEAMO COc1cc2c(cc1OC)C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000030673266 900504205 /nfs/dbraw/zinc/50/42/05/900504205.db2.gz VZWKCZXNHAVBFF-UHFFFAOYSA-N 1 1 399.878 3.616 50 30 GHEAMO C=CCSc1ccccc1NC(=O)CN1CC[NH+](Cc2cccs2)CC1 ZINC000026300007 209178821 /nfs/dbraw/zinc/17/88/21/209178821.db2.gz YUSKQHJELCYFAE-UHFFFAOYSA-N 1 1 387.574 3.783 50 30 GHEAMO Cc1cc(C)c(C#N)c(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)n1 ZINC000095507325 136180367 /nfs/dbraw/zinc/18/03/67/136180367.db2.gz GSCSIWMMHUEOOK-INIZCTEOSA-N 1 1 378.505 3.655 50 30 GHEAMO C=CCSc1nnc([C@H]2CCC[N@H+](Cc3ccc(O)c(OCC)c3)C2)n1C ZINC000014996139 519091014 /nfs/dbraw/zinc/09/10/14/519091014.db2.gz UXCFOBDDPFRHAB-INIZCTEOSA-N 1 1 388.537 3.577 50 30 GHEAMO OCC#Cc1csc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3)c1 ZINC000012706092 527520945 /nfs/dbraw/zinc/52/09/45/527520945.db2.gz JRACYCPBEDKEQM-QHCPKHFHSA-N 1 1 398.547 3.719 50 30 GHEAMO OCC#Cc1csc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000012706092 527520949 /nfs/dbraw/zinc/52/09/49/527520949.db2.gz JRACYCPBEDKEQM-QHCPKHFHSA-N 1 1 398.547 3.719 50 30 GHEAMO OCC#Cc1csc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)c1 ZINC000012706092 527520952 /nfs/dbraw/zinc/52/09/52/527520952.db2.gz JRACYCPBEDKEQM-QHCPKHFHSA-N 1 1 398.547 3.719 50 30 GHEAMO Cc1ccc(SCC(=O)ONC(=[NH2+])c2ccc(Br)cc2)cc1 ZINC000005047617 570425952 /nfs/dbraw/zinc/42/59/52/570425952.db2.gz ILIGCHYDFMGFJU-UHFFFAOYSA-N 1 1 379.279 3.713 50 30 GHEAMO N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000051371648 842203263 /nfs/dbraw/zinc/20/32/63/842203263.db2.gz JUDPOPMIOZLRGO-FQEVSTJZSA-N 1 1 389.421 3.823 50 30 GHEAMO OCC#Cc1csc(CN2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1 ZINC000011842636 858960618 /nfs/dbraw/zinc/96/06/18/858960618.db2.gz LAJMKEIEYIBNKQ-DEOSSOPVSA-N 1 1 394.584 3.623 50 30 GHEAMO C[N@H+]1CCc2nc(SCC(=O)NC(C)(C)C)c(C#N)c(-c3ccccc3)c2C1 ZINC000020661086 860626248 /nfs/dbraw/zinc/62/62/48/860626248.db2.gz DTQFUGMZVNXHEG-UHFFFAOYSA-N 1 1 394.544 3.615 50 30 GHEAMO CC(C)(C)c1ccc(C[NH+]2CCN(Cc3cc(C#CCO)cs3)CC2)cc1 ZINC000828644670 865329855 /nfs/dbraw/zinc/32/98/55/865329855.db2.gz WTUGKMNURCOMLB-UHFFFAOYSA-N 1 1 382.573 3.707 50 30 GHEAMO CC(C)(C)c1ccc(CN2CC[NH+](Cc3cc(C#CCO)cs3)CC2)cc1 ZINC000828644670 865329868 /nfs/dbraw/zinc/32/98/68/865329868.db2.gz WTUGKMNURCOMLB-UHFFFAOYSA-N 1 1 382.573 3.707 50 30 GHEAMO C[C@@H]1CC[C@H]2[C@H](C[N@H+]3CCc4ccccc4C3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000004064704 913161282 /nfs/dbraw/zinc/16/12/82/913161282.db2.gz LDYXBXJFQRMXDU-HUJHZPLGSA-N 1 1 381.516 3.570 50 30 biogenic GHEAMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000013001569 210043564 /nfs/dbraw/zinc/04/35/64/210043564.db2.gz QLPZKRPBOHXFKB-OWCLPIDISA-N 1 1 398.532 3.899 50 30 GHEAMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000013001569 210043568 /nfs/dbraw/zinc/04/35/68/210043568.db2.gz QLPZKRPBOHXFKB-OWCLPIDISA-N 1 1 398.532 3.899 50 30 GHEAMO C=CC[N@H+]1C[C@H](C(=O)NCCc2ccc(OC)cc2)CC[C@@H]1c1ccccc1 ZINC000037546667 518872059 /nfs/dbraw/zinc/87/20/59/518872059.db2.gz ZXBBCBLJKWHHFA-FYYLOGMGSA-N 1 1 378.516 3.993 50 30 GHEAMO C=CCn1ncc(C[N@@H+]2CCc3[nH]nc(Cc4ccc(Cl)cc4)c3C2)c1C ZINC000023506078 519291498 /nfs/dbraw/zinc/29/14/98/519291498.db2.gz NWFANTPPYAGEBT-UHFFFAOYSA-N 1 1 381.911 3.903 50 30 GHEAMO C=CCn1ncc(C[N@H+]2CCc3[nH]nc(Cc4ccc(Cl)cc4)c3C2)c1C ZINC000023506078 519291504 /nfs/dbraw/zinc/29/15/04/519291504.db2.gz NWFANTPPYAGEBT-UHFFFAOYSA-N 1 1 381.911 3.903 50 30 GHEAMO C=CCn1ncc(C[N@@H+]2CCc3n[nH]c(Cc4ccc(Cl)cc4)c3C2)c1C ZINC000023506078 519291511 /nfs/dbraw/zinc/29/15/11/519291511.db2.gz NWFANTPPYAGEBT-UHFFFAOYSA-N 1 1 381.911 3.903 50 30 GHEAMO C=CCn1ncc(C[N@H+]2CCc3n[nH]c(Cc4ccc(Cl)cc4)c3C2)c1C ZINC000023506078 519291518 /nfs/dbraw/zinc/29/15/18/519291518.db2.gz NWFANTPPYAGEBT-UHFFFAOYSA-N 1 1 381.911 3.903 50 30 GHEAMO Cc1ccc(C(=[NH2+])NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000006404484 570479153 /nfs/dbraw/zinc/47/91/53/570479153.db2.gz PYXCGSDKHDYVCK-UHFFFAOYSA-N 1 1 391.496 3.844 50 30 GHEAMO CCn1cc(C[N@H+]2CCC[C@H](CNC(=O)c3cc4ccccc4o3)C2)cc1C#N ZINC000826773311 864786069 /nfs/dbraw/zinc/78/60/69/864786069.db2.gz KJXVQHYSSFFUBK-QGZVFWFLSA-N 1 1 390.487 3.768 50 30 GHEAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2cccc(-c3cc(C#N)ccc3O)c2)C1 ZINC000534658858 867227293 /nfs/dbraw/zinc/22/72/93/867227293.db2.gz PUPVDUZZOIGUAQ-MRXNPFEDSA-N 1 1 375.472 3.630 50 30 GHEAMO C#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000020149544 209175558 /nfs/dbraw/zinc/17/55/58/209175558.db2.gz ISYKSCQOUQWPRP-QFIPXVFZSA-N 1 1 377.507 3.594 50 30 GHEAMO C=CC[N@H+]1C[C@H](C(=O)NCCc2ccc(OC)cc2)CC[C@H]1c1ccccc1 ZINC000037546669 518872087 /nfs/dbraw/zinc/87/20/87/518872087.db2.gz ZXBBCBLJKWHHFA-GGAORHGYSA-N 1 1 378.516 3.993 50 30 GHEAMO COc1ccc(Cl)cc1C(=O)ONC(=[NH2+])c1ccc(Br)cc1 ZINC000005012677 524199588 /nfs/dbraw/zinc/19/95/88/524199588.db2.gz OJTXXBCOUXBGGC-UHFFFAOYSA-N 1 1 383.629 3.588 50 30 GHEAMO O=C(C[N@@H+]1C[C@@H]2CCC[C@@H]21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000079051916 527587732 /nfs/dbraw/zinc/58/77/32/527587732.db2.gz XEGBLBTVPANGKR-BBRMVZONSA-N 1 1 383.414 3.614 50 30 GHEAMO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000079051916 527587739 /nfs/dbraw/zinc/58/77/39/527587739.db2.gz XEGBLBTVPANGKR-BBRMVZONSA-N 1 1 383.414 3.614 50 30 GHEAMO N#Cc1ccccc1NC(=O)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000024828995 570310182 /nfs/dbraw/zinc/31/01/82/570310182.db2.gz LZYXIUQYGCUYAA-UHFFFAOYSA-N 1 1 390.512 3.529 50 30 GHEAMO Cc1cc(C)c(C)c(OCC(=O)ONC(=[NH2+])c2ccc(Br)cc2)c1 ZINC000004907625 570498947 /nfs/dbraw/zinc/49/89/47/570498947.db2.gz VJZLVQMHJOOOHH-UHFFFAOYSA-N 1 1 391.265 3.617 50 30 GHEAMO N#Cc1ccc(NC(=O)CN2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1Cl ZINC000333027706 841002135 /nfs/dbraw/zinc/00/21/35/841002135.db2.gz LFKSAJRAWDCOEC-UHFFFAOYSA-N 1 1 397.910 3.563 50 30 GHEAMO C=CCn1c(SC)nc2sc3c(c2c1=O)CC[N@@H+](Cc1ccccc1)C3 ZINC000020813844 860648424 /nfs/dbraw/zinc/64/84/24/860648424.db2.gz HRWDEHYVFFXDDT-UHFFFAOYSA-N 1 1 383.542 3.924 50 30 GHEAMO C=CCn1c(SC)nc2sc3c(c2c1=O)CC[N@H+](Cc1ccccc1)C3 ZINC000020813844 860648427 /nfs/dbraw/zinc/64/84/27/860648427.db2.gz HRWDEHYVFFXDDT-UHFFFAOYSA-N 1 1 383.542 3.924 50 30 GHEAMO COCCO[C@@H]1C[N@@H+](C2CCN(Cc3ccc(C#N)cc3)CC2)C12CCCCC2 ZINC000581802002 870002053 /nfs/dbraw/zinc/00/20/53/870002053.db2.gz CIRQFXLXSYDOEZ-HSZRJFAPSA-N 1 1 397.563 3.573 50 30 GHEAMO COCCO[C@@H]1CN(C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C12CCCCC2 ZINC000581802002 870002062 /nfs/dbraw/zinc/00/20/62/870002062.db2.gz CIRQFXLXSYDOEZ-HSZRJFAPSA-N 1 1 397.563 3.573 50 30 GHEAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCc5ccccc5C4)[C@H]3[C@@H]3O[C@]312 ZINC000004028637 913081818 /nfs/dbraw/zinc/08/18/18/913081818.db2.gz YRYDGSXOQSVDAV-DBUGVXSJSA-N 1 1 381.516 3.570 50 30 biogenic GHEAMO [NH2+]=C(NOC(=O)[C@@H]1C[C@@H]1c1ccccc1F)c1cccc(Br)c1 ZINC000008986408 922495214 /nfs/dbraw/zinc/49/52/14/922495214.db2.gz KTHBXOVWKFZTNS-ZIAGYGMSSA-N 1 1 377.213 3.555 50 30 GHEAMO CC(C)(O)C#Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000012756688 209163416 /nfs/dbraw/zinc/16/34/16/209163416.db2.gz YDIBGUYDVCSQEN-QFIPXVFZSA-N 1 1 382.548 3.584 50 30 GHEAMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1 ZINC000007266525 209145567 /nfs/dbraw/zinc/14/55/67/209145567.db2.gz NWMJXKMQBRQNBX-MRXNPFEDSA-N 1 1 384.476 3.686 50 30 GHEAMO C=CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1 ZINC000007266525 209145572 /nfs/dbraw/zinc/14/55/72/209145572.db2.gz NWMJXKMQBRQNBX-MRXNPFEDSA-N 1 1 384.476 3.686 50 30 GHEAMO C#CC[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@H]1CCc2ccccc21 ZINC000032935649 518254944 /nfs/dbraw/zinc/25/49/44/518254944.db2.gz UTUYSILQVVKVPX-NRFANRHFSA-N 1 1 398.453 3.569 50 30 GHEAMO C#CC[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@H]1CCc2ccccc21 ZINC000032935649 518254948 /nfs/dbraw/zinc/25/49/48/518254948.db2.gz UTUYSILQVVKVPX-NRFANRHFSA-N 1 1 398.453 3.569 50 30 GHEAMO C[C@@H](Oc1ccc(Br)cc1)C(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000005059949 525918333 /nfs/dbraw/zinc/91/83/33/525918333.db2.gz PQIPTIUZYLTGQH-SNVBAGLBSA-N 1 1 397.656 3.734 50 30 GHEAMO CCCCCCCCSC[C@@H](O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263586780 528133356 /nfs/dbraw/zinc/13/33/56/528133356.db2.gz XVCNYYCPAKHFJJ-ZCNNSNEGSA-N 1 1 392.609 3.722 50 30 biogenic GHEAMO C=CCN(C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012326227 570315017 /nfs/dbraw/zinc/31/50/17/570315017.db2.gz RMABRJUVAVRWAW-LJQANCHMSA-N 1 1 377.488 3.556 50 30 GHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)C[C@H](O)c4ccc(O)cc4)[C@H]3C[C@@H]12 ZINC000035361973 570344697 /nfs/dbraw/zinc/34/46/97/570344697.db2.gz OBTXHSTWEOYBKT-HFAAFMBOSA-N 1 1 399.531 3.672 50 30 biogenic GHEAMO N#Cc1ccc(COCC2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000077191655 859510119 /nfs/dbraw/zinc/51/01/19/859510119.db2.gz RPWARJOGNKOBOR-UHFFFAOYSA-N 1 1 381.451 3.565 50 30 GHEAMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cc2)C[C@H](C)O1 ZINC000030001662 900485228 /nfs/dbraw/zinc/48/52/28/900485228.db2.gz ZZCYROWALPADNF-IYBDPMFKSA-N 1 1 380.448 3.688 50 30 GHEAMO N#Cc1ccccc1C[N@@H+]1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095352341 211222182 /nfs/dbraw/zinc/22/21/82/211222182.db2.gz MOEZRGYKFCPKDM-WWPVKYPJSA-N 1 1 379.454 3.899 50 30 GHEAMO N#Cc1ccccc1CN1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095352341 211222185 /nfs/dbraw/zinc/22/21/85/211222185.db2.gz MOEZRGYKFCPKDM-WWPVKYPJSA-N 1 1 379.454 3.899 50 30 GHEAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(c4cc(C#N)ccn4)C3)C2)c1 ZINC000426615057 533900560 /nfs/dbraw/zinc/90/05/60/533900560.db2.gz GFZHAPSRBNWDRP-JOCHJYFZSA-N 1 1 380.467 3.593 50 30 GHEAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2Cl)CC1 ZINC000000809783 521699425 /nfs/dbraw/zinc/69/94/25/521699425.db2.gz MCNBATLWQXCBJW-UHFFFAOYSA-N 1 1 386.858 3.745 50 30 GHEAMO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(C#CCCO)cc3)C2)c1 ZINC000012314853 525839989 /nfs/dbraw/zinc/83/99/89/525839989.db2.gz ZMQODXLKBQWDQY-QFIPXVFZSA-N 1 1 377.484 3.524 50 30 GHEAMO C[C@H](Oc1cccc(Cl)c1)C(=O)ONC(=[NH2+])c1ccc(Br)cc1 ZINC000004978616 525948132 /nfs/dbraw/zinc/94/81/32/525948132.db2.gz IMEYZJZMKFFCGG-JTQLQIEISA-N 1 1 397.656 3.734 50 30 GHEAMO OCCC#Cc1ccc(C[N@H+]2CCc3[nH]nc(-c4cccc(F)c4)c3C2)cc1 ZINC000023129055 570915639 /nfs/dbraw/zinc/91/56/39/570915639.db2.gz LHUJFMOOCXYFSG-UHFFFAOYSA-N 1 1 375.447 3.508 50 30 GHEAMO Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c1C#N ZINC000252444047 570957268 /nfs/dbraw/zinc/95/72/68/570957268.db2.gz VYHNSEOHRIBXOP-SLFFLAALSA-N 1 1 398.551 3.606 50 30 GHEAMO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc(C)nn2-c2ccccc2)cc1 ZINC000008772497 856358964 /nfs/dbraw/zinc/35/89/64/856358964.db2.gz FELRQKNNVIWYLE-UHFFFAOYSA-N 1 1 390.487 3.816 50 30 GHEAMO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc(C)nn2-c2ccccc2)cc1 ZINC000008772497 856358971 /nfs/dbraw/zinc/35/89/71/856358971.db2.gz FELRQKNNVIWYLE-UHFFFAOYSA-N 1 1 390.487 3.816 50 30 GHEAMO C=C(C)C[N@H+](CC)[C@H]1CCc2c(sc3ncn(Cc4ccncc4)c(=O)c32)C1 ZINC000012190187 859275621 /nfs/dbraw/zinc/27/56/21/859275621.db2.gz XLSUPYVCZYFVHM-KRWDZBQOSA-N 1 1 394.544 3.657 50 30 GHEAMO C=CCSc1nnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1C ZINC000020534631 919644555 /nfs/dbraw/zinc/64/45/55/919644555.db2.gz FXIURDOSXFRCER-CYBMUJFWSA-N 1 1 378.929 3.832 50 30 GHEAMO [NH2+]=C(NOC(=O)[C@H]1C[C@H]1c1ccccc1F)c1cccc(Br)c1 ZINC000008986384 922495025 /nfs/dbraw/zinc/49/50/25/922495025.db2.gz KTHBXOVWKFZTNS-KBPBESRZSA-N 1 1 377.213 3.555 50 30 GHEAMO CC[N@@H+]1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1 ZINC000020841003 210362278 /nfs/dbraw/zinc/36/22/78/210362278.db2.gz OFVQTBJOUGGQOD-UHFFFAOYSA-N 1 1 375.520 3.934 50 30 GHEAMO CC[N@H+]1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1 ZINC000020841003 210362284 /nfs/dbraw/zinc/36/22/84/210362284.db2.gz OFVQTBJOUGGQOD-UHFFFAOYSA-N 1 1 375.520 3.934 50 30 GHEAMO CCOC(=O)[C@@H](C)Sc1nc2c(c(-c3cccs3)c1C#N)C[N@@H+](C)CC2 ZINC000020458516 210338788 /nfs/dbraw/zinc/33/87/88/210338788.db2.gz HDRDSMSOSCFYFX-GFCCVEGCSA-N 1 1 387.530 3.713 50 30 GHEAMO COc1ccc(Br)cc1/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019771461 210295069 /nfs/dbraw/zinc/29/50/69/210295069.db2.gz CIFIQJIGRXQZDP-KGENOOAVSA-N 1 1 388.309 3.609 50 30 GHEAMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000062580324 570670389 /nfs/dbraw/zinc/67/03/89/570670389.db2.gz USYQJDLTVUVLSK-SFHVURJKSA-N 1 1 383.879 3.866 50 30 GHEAMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237622742 570944476 /nfs/dbraw/zinc/94/44/76/570944476.db2.gz CTPDYSKTKRYXHO-SLFFLAALSA-N 1 1 393.531 3.876 50 30 GHEAMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000040107117 856664236 /nfs/dbraw/zinc/66/42/36/856664236.db2.gz DEDYJYPVTMTKQQ-RTBURBONSA-N 1 1 391.515 3.874 50 30 GHEAMO COCCO[C@@H]1C[N@@H+](C2CCN(Cc3ccccc3C#N)CC2)C12CCCCC2 ZINC000575317293 865990933 /nfs/dbraw/zinc/99/09/33/865990933.db2.gz JIMVSXNUHLWNGX-HSZRJFAPSA-N 1 1 397.563 3.573 50 30 GHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCC[C@H](C(=O)OCC)C4)[C@H]3C[C@@H]12 ZINC000004082810 912258972 /nfs/dbraw/zinc/25/89/72/912258972.db2.gz WPQMZZXIPRONLR-RKSXXNKWSA-N 1 1 389.536 3.576 50 30 biogenic GHEAMO Cc1ccc(C(=[NH2+])NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000005257007 902034534 /nfs/dbraw/zinc/03/45/34/902034534.db2.gz RKTGZRYYOFSXSA-UHFFFAOYSA-N 1 1 377.469 3.536 50 30 GHEAMO CC(=O)NC[C@@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191464502 908629238 /nfs/dbraw/zinc/62/92/38/908629238.db2.gz MXOZOZFVEQEZSS-NRFANRHFSA-N 1 1 375.516 3.734 50 30 GHEAMO CC(C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071746689 211054038 /nfs/dbraw/zinc/05/40/38/211054038.db2.gz HMTSCIRPEXJUTI-JOCHJYFZSA-N 1 1 379.479 3.956 50 30 GHEAMO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000014975686 524302661 /nfs/dbraw/zinc/30/26/61/524302661.db2.gz RXRYKVDCLRXGNO-HXUWFJFHSA-N 1 1 395.474 3.663 50 30 GHEAMO Cc1cc(C)c(C#N)c(SCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1 ZINC000026014198 570236355 /nfs/dbraw/zinc/23/63/55/570236355.db2.gz PCAFKRDNKPFITA-SFHVURJKSA-N 1 1 394.544 3.568 50 30 GHEAMO C=CCN1CC2(CCC1=O)CC[NH+](Cc1[nH]c(CCCC)nc1Cl)CC2 ZINC000091595462 570984264 /nfs/dbraw/zinc/98/42/64/570984264.db2.gz JOEBQEWCCVQHEN-UHFFFAOYSA-N 1 1 378.948 3.796 50 30 GHEAMO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000079053414 845797186 /nfs/dbraw/zinc/79/71/86/845797186.db2.gz LIXAZVZBYYKPOY-OAQYLSRUSA-N 1 1 389.455 3.716 50 30 GHEAMO COCCO[C@H]1C[N@@H+](C2CCN(Cc3cccc(C#N)c3)CC2)C12CCCCC2 ZINC000575317543 865990879 /nfs/dbraw/zinc/99/08/79/865990879.db2.gz XWWXSCOZOZAJAV-QHCPKHFHSA-N 1 1 397.563 3.573 50 30 GHEAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc(C#N)cn1C ZINC000095511333 211262167 /nfs/dbraw/zinc/26/21/67/211262167.db2.gz YWLMXSYMZDGVEQ-SFHVURJKSA-N 1 1 398.938 3.577 50 30 GHEAMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071712089 211051537 /nfs/dbraw/zinc/05/15/37/211051537.db2.gz NEOBLSLBTMISJX-JOCHJYFZSA-N 1 1 379.479 3.956 50 30 GHEAMO Cc1ccc(OCc2nc(C#N)c(N3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000054061540 210875956 /nfs/dbraw/zinc/87/59/56/210875956.db2.gz YWTWENTVPGMMIL-UHFFFAOYSA-N 1 1 388.471 3.756 50 30 GHEAMO CC(C)OC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[N@@H+](C)CC2 ZINC000019852797 210302676 /nfs/dbraw/zinc/30/26/76/210302676.db2.gz PZVSIQMMMGJUME-UHFFFAOYSA-N 1 1 387.530 3.713 50 30 GHEAMO C[NH+]1CCN(c2ccc(/C=C3\Sc4ccccc4C3=O)cc2[N+](=O)[O-])CC1 ZINC000004320379 570367590 /nfs/dbraw/zinc/36/75/90/570367590.db2.gz OBKVEGSZDNHKMF-UYRXBGFRSA-N 1 1 381.457 3.676 50 30 GHEAMO CCc1ccc2oc(=O)cc(CN3CC[NH+](Cc4cccc(C#N)c4)CC3)c2c1 ZINC000033088025 570807291 /nfs/dbraw/zinc/80/72/91/570807291.db2.gz UVKMGZGGQRPFRQ-UHFFFAOYSA-N 1 1 387.483 3.545 50 30 GHEAMO CC(C)(O)C#Cc1ccc(CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)s1 ZINC000670456941 862762444 /nfs/dbraw/zinc/76/24/44/862762444.db2.gz POZFUKFXTUIUBD-UHFFFAOYSA-N 1 1 394.584 3.546 50 30 GHEAMO N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CC[NH+](CCc2ccccn2)CC1 ZINC000096345988 211336824 /nfs/dbraw/zinc/33/68/24/211336824.db2.gz KNDZVZRGLBDYCA-LEWJYISDSA-N 1 1 399.498 3.577 50 30 GHEAMO CC(C)Sc1ccc(CC(=O)NCC#CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000077197656 519787979 /nfs/dbraw/zinc/78/79/79/519787979.db2.gz BKQSHMJADHGMFZ-UHFFFAOYSA-N 1 1 392.568 3.908 50 30 GHEAMO CC(C)Sc1ccc(CC(=O)NCC#CC[N@H+]2CCc3ccccc3C2)cc1 ZINC000077197656 519787980 /nfs/dbraw/zinc/78/79/80/519787980.db2.gz BKQSHMJADHGMFZ-UHFFFAOYSA-N 1 1 392.568 3.908 50 30 GHEAMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000105638051 570931261 /nfs/dbraw/zinc/93/12/61/570931261.db2.gz DEDYJYPVTMTKQQ-OALUTQOASA-N 1 1 391.515 3.874 50 30 GHEAMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000021473103 210382053 /nfs/dbraw/zinc/38/20/53/210382053.db2.gz GURIPEFAJWPXCM-INIZCTEOSA-N 1 1 383.473 3.557 50 30 GHEAMO CSc1ccc(C[N@@H+](CCO)Cc2ccc(C#CC(C)(C)O)s2)cc1 ZINC000055392797 525990700 /nfs/dbraw/zinc/99/07/00/525990700.db2.gz SMNYYFKHOHCIOV-UHFFFAOYSA-N 1 1 375.559 3.587 50 30 GHEAMO N#Cc1ccc(N2CCC[N@H+](C[C@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000051371295 570250390 /nfs/dbraw/zinc/25/03/90/570250390.db2.gz ZTGOXWKHMOLPIG-FQEVSTJZSA-N 1 1 389.421 3.823 50 30 GHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1)c1ccccc1F ZINC000058015424 570707476 /nfs/dbraw/zinc/70/74/76/570707476.db2.gz ZGTOJAQXPZRREJ-IBGZPJMESA-N 1 1 383.442 3.919 50 30 GHEAMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1)c1ccccc1F ZINC000058015424 570707479 /nfs/dbraw/zinc/70/74/79/570707479.db2.gz ZGTOJAQXPZRREJ-IBGZPJMESA-N 1 1 383.442 3.919 50 30 GHEAMO N#Cc1ccc(CN2CCC[N@H+](CCC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000025934035 571002215 /nfs/dbraw/zinc/00/22/15/571002215.db2.gz RYEMDVWLHIQWIE-UHFFFAOYSA-N 1 1 396.922 3.748 50 30 GHEAMO N#Cc1ccc(C[N@H+]2CCCN(CCC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000025934035 571002219 /nfs/dbraw/zinc/00/22/19/571002219.db2.gz RYEMDVWLHIQWIE-UHFFFAOYSA-N 1 1 396.922 3.748 50 30 GHEAMO N#Cc1ccc(C[N@@H+]2CCCN(CCC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000025934035 571002220 /nfs/dbraw/zinc/00/22/20/571002220.db2.gz RYEMDVWLHIQWIE-UHFFFAOYSA-N 1 1 396.922 3.748 50 30 GHEAMO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[N@H+]3CCc4ccccc4C3)C(=O)O[C@@H]1C2 ZINC000012659755 927407228 /nfs/dbraw/zinc/40/72/28/927407228.db2.gz QRQMVOJVQOCKSG-KVOBWYIXSA-N 1 1 381.516 3.572 50 30 biogenic GHEAMO CC[N@@H+]1CCc2c(C#N)c(NCc3ccccc3)nc(N3CCCCC3)c2C1 ZINC000013764278 210089479 /nfs/dbraw/zinc/08/94/79/210089479.db2.gz KCQIKUXXNYPLOV-UHFFFAOYSA-N 1 1 375.520 3.934 50 30 GHEAMO CC[N@H+]1CCc2c(C#N)c(NCc3ccccc3)nc(N3CCCCC3)c2C1 ZINC000013764278 210089481 /nfs/dbraw/zinc/08/94/81/210089481.db2.gz KCQIKUXXNYPLOV-UHFFFAOYSA-N 1 1 375.520 3.934 50 30 GHEAMO C=C(C)C[NH+]1CCN(c2c3c(nc4c(-c5ccccc5)c(C)nn42)CCC3)CC1 ZINC000002204082 209169427 /nfs/dbraw/zinc/16/94/27/209169427.db2.gz HQGFDLMRKIJCLY-UHFFFAOYSA-N 1 1 387.531 3.892 50 30 GHEAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc(C#N)cn1C ZINC000095511334 211262501 /nfs/dbraw/zinc/26/25/01/211262501.db2.gz YWLMXSYMZDGVEQ-GOSISDBHSA-N 1 1 398.938 3.577 50 30 GHEAMO N#Cc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)o1 ZINC000095366586 211225939 /nfs/dbraw/zinc/22/59/39/211225939.db2.gz NSHLIFKIMLEQFS-RBUKOAKNSA-N 1 1 375.472 3.651 50 30 GHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)C[C@H](O)c4cccc(O)c4)[C@H]3C[C@@H]12 ZINC000036367775 518661117 /nfs/dbraw/zinc/66/11/17/518661117.db2.gz VUCLZXQOYVRHRE-HFAAFMBOSA-N 1 1 399.531 3.672 50 30 biogenic GHEAMO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C#CC(C)(C)O)s3)C2)c1 ZINC000055089075 525839840 /nfs/dbraw/zinc/83/98/40/525839840.db2.gz RVZVJOBVWVHGMI-GOSISDBHSA-N 1 1 397.540 3.974 50 30 GHEAMO C=CCN(CC=C)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000015070803 570246620 /nfs/dbraw/zinc/24/66/20/570246620.db2.gz FFYNQYIRXIDCCB-QFIPXVFZSA-N 1 1 381.564 3.564 50 30 GHEAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000023374857 570300245 /nfs/dbraw/zinc/30/02/45/570300245.db2.gz NUEHCNBWGRBQTE-VWLOTQADSA-N 1 1 390.571 3.948 50 30 GHEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000036145923 570549065 /nfs/dbraw/zinc/54/90/65/570549065.db2.gz HTHGDXRJCSSHFF-FCHUYYIVSA-N 1 1 394.515 3.554 50 30 GHEAMO C=CCSc1nnc([C@H]2CCC[N@H+](C/C=C/c3ccccc3OC)C2)n1C ZINC000299777688 570653311 /nfs/dbraw/zinc/65/33/11/570653311.db2.gz FBCLRDPPHFHLGY-HKMNZKMDSA-N 1 1 384.549 3.995 50 30 GHEAMO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CC1=C(c2ccccc2)CCC1=O ZINC000821294857 862312030 /nfs/dbraw/zinc/31/20/30/862312030.db2.gz XLXIGXMAPUYCNN-SFHVURJKSA-N 1 1 388.511 3.756 50 30 GHEAMO C[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CC1=C(c2ccccc2)CCC1=O ZINC000821294857 862312040 /nfs/dbraw/zinc/31/20/40/862312040.db2.gz XLXIGXMAPUYCNN-SFHVURJKSA-N 1 1 388.511 3.756 50 30 GHEAMO COc1ccc(-c2nc(-c3cccc(C)c3)nc(N3CC[NH+](C)CC3)c2C#N)cc1 ZINC000001401432 209326486 /nfs/dbraw/zinc/32/64/86/209326486.db2.gz HITBEPQTWWGIFI-UHFFFAOYSA-N 1 1 399.498 3.751 50 30 GHEAMO C=CCOc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(CCC(C)=O)cc2)cc1 ZINC000005859312 209142840 /nfs/dbraw/zinc/14/28/40/209142840.db2.gz AERZPGPMSZKQKX-JOCHJYFZSA-N 1 1 397.515 3.645 50 30 GHEAMO Cc1cccc(N2CCN(c3cc(C)c(C#N)c4nc5ccccc5n43)CC2)[nH+]1 ZINC000100735953 136189381 /nfs/dbraw/zinc/18/93/81/136189381.db2.gz SHLSFXPCGYERKB-UHFFFAOYSA-N 1 1 382.471 3.698 50 30 GHEAMO CSc1ccccc1NC(=O)CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000048374304 570247230 /nfs/dbraw/zinc/24/72/30/570247230.db2.gz BTNDCKCNEAEAEQ-UHFFFAOYSA-N 1 1 394.544 3.821 50 30 GHEAMO Cc1cccc(NC(=O)c2ccc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)cc2)c1C#N ZINC000102666838 570380314 /nfs/dbraw/zinc/38/03/14/570380314.db2.gz VBIOCCXAIWMUNG-PMOLBWCYSA-N 1 1 375.472 3.607 50 30 GHEAMO [NH2+]=C(NOC(=O)c1cccc(Br)c1)c1ccc(Br)cc1 ZINC000005112210 570429841 /nfs/dbraw/zinc/42/98/41/570429841.db2.gz NPDUQDGSIXFSEF-UHFFFAOYSA-N 1 1 398.054 3.689 50 30 aggregator GHEAMO Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CC[NH+](C)CC4)o3)o2)c1 ZINC000033027214 570663775 /nfs/dbraw/zinc/66/37/75/570663775.db2.gz ROESCNSLTMBLDR-UHFFFAOYSA-N 1 1 392.459 3.754 50 30 GHEAMO CCOC(=O)[C@H](C)Sc1nc2c(c(-c3cccs3)c1C#N)C[N@@H+](C)CC2 ZINC000020458519 210338299 /nfs/dbraw/zinc/33/82/99/210338299.db2.gz HDRDSMSOSCFYFX-LBPRGKRZSA-N 1 1 387.530 3.713 50 30 GHEAMO C=CC[N@@H+](C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000071777308 518742676 /nfs/dbraw/zinc/74/26/76/518742676.db2.gz OBYWXMIKONPLJG-UHFFFAOYSA-N 1 1 376.504 3.575 50 30 GHEAMO C=CC[N@H+](C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000071777308 518742679 /nfs/dbraw/zinc/74/26/79/518742679.db2.gz OBYWXMIKONPLJG-UHFFFAOYSA-N 1 1 376.504 3.575 50 30 GHEAMO C=CC[N@H+]1C[C@@H](C(=O)NCCc2ccc(OC)cc2)CC[C@@H]1c1ccccc1 ZINC000037546668 518871318 /nfs/dbraw/zinc/87/13/18/518871318.db2.gz ZXBBCBLJKWHHFA-JTHBVZDNSA-N 1 1 378.516 3.993 50 30 GHEAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000019228789 523350927 /nfs/dbraw/zinc/35/09/27/523350927.db2.gz CZBGZCHWIXKJDJ-XMMPIXPASA-N 1 1 376.544 3.905 50 30 GHEAMO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000019228789 523350938 /nfs/dbraw/zinc/35/09/38/523350938.db2.gz CZBGZCHWIXKJDJ-XMMPIXPASA-N 1 1 376.544 3.905 50 30 GHEAMO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000019228789 523350949 /nfs/dbraw/zinc/35/09/49/523350949.db2.gz CZBGZCHWIXKJDJ-XMMPIXPASA-N 1 1 376.544 3.905 50 30 GHEAMO Cc1cc(C)c(C)c(OCC(=O)ONC(=[NH2+])c2cccc(Br)c2)c1 ZINC000004827755 524246408 /nfs/dbraw/zinc/24/64/08/524246408.db2.gz NNYAMGCVFBPFJV-UHFFFAOYSA-N 1 1 391.265 3.617 50 30 GHEAMO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@@H+](C)Cc1ccco1)C2 ZINC000014749958 570245486 /nfs/dbraw/zinc/24/54/86/570245486.db2.gz HWVPCARGCCTDTH-SFHVURJKSA-N 1 1 396.535 3.668 50 30 GHEAMO C=CC(C)(C)OC[C@@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022918127 570573280 /nfs/dbraw/zinc/57/32/80/570573280.db2.gz JFUZBCQUIYAEHA-QHCPKHFHSA-N 1 1 394.559 3.736 50 30 GHEAMO C[NH+]1CCN(c2ccc(/C=C3/Sc4ccccc4C3=O)cc2[N+](=O)[O-])CC1 ZINC000033247325 570857535 /nfs/dbraw/zinc/85/75/35/570857535.db2.gz OBKVEGSZDNHKMF-CPNJWEJPSA-N 1 1 381.457 3.676 50 30 GHEAMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccsc1 ZINC000058932119 862717773 /nfs/dbraw/zinc/71/77/73/862717773.db2.gz DZVPWZCIXPUPFZ-KRWDZBQOSA-N 1 1 397.953 3.635 50 30 GHEAMO C=CCSc1nnc([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1C ZINC000020534633 919645843 /nfs/dbraw/zinc/64/58/43/919645843.db2.gz FXIURDOSXFRCER-ZDUSSCGKSA-N 1 1 378.929 3.832 50 30 GHEAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC000011933567 570234657 /nfs/dbraw/zinc/23/46/57/570234657.db2.gz KRTKMINUDJVRFF-JOCHJYFZSA-N 1 1 390.527 3.855 50 30 GHEAMO OCC[N@@H+](CC#CCC1(O)c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000061859453 570533419 /nfs/dbraw/zinc/53/34/19/570533419.db2.gz GILZKBZIHPOHNC-UHFFFAOYSA-N 1 1 383.491 3.791 50 30 GHEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103944 570540980 /nfs/dbraw/zinc/54/09/80/570540980.db2.gz ACQBMMGIAUZXOE-OAQYLSRUSA-N 1 1 383.488 3.598 50 30 GHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)C[C@H](O)c4ccc(O)cc4)[C@H]3C[C@@H]12 ZINC000004073596 862755251 /nfs/dbraw/zinc/75/52/51/862755251.db2.gz OBTXHSTWEOYBKT-NEZQKAMOSA-N 1 1 399.531 3.672 50 30 biogenic GHEAMO CCCc1cc(C(=O)ONC(=[NH2+])c2ccc(NC(=O)C3CC3)cc2)sc1C ZINC000008986313 922494861 /nfs/dbraw/zinc/49/48/61/922494861.db2.gz KUWHHPPBKREFBR-UHFFFAOYSA-N 1 1 385.489 3.835 50 30 GHEAMO Cc1ccccc1C[C@@]1(CO)CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000012715557 209163479 /nfs/dbraw/zinc/16/34/79/209163479.db2.gz UOUHPWBPTRVDLO-SANMLTNESA-N 1 1 391.555 3.935 50 30 GHEAMO N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CC[NH+](CCc2ccccn2)CC1 ZINC000096345990 211336685 /nfs/dbraw/zinc/33/66/85/211336685.db2.gz KNDZVZRGLBDYCA-NHCUHLMSSA-N 1 1 399.498 3.577 50 30 GHEAMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)o2)C[C@H]1NC(=O)N(C)C ZINC000095504575 211254388 /nfs/dbraw/zinc/25/43/88/211254388.db2.gz HQOZRXZGEBWALA-VQTJNVASSA-N 1 1 380.492 3.546 50 30 GHEAMO C=CC[N@@H+](Cc1c(C)n(CC(N)=O)c2ccccc21)Cc1ccccc1OC ZINC000055060565 518777473 /nfs/dbraw/zinc/77/74/73/518777473.db2.gz YPTNDXKJAAHKEF-UHFFFAOYSA-N 1 1 377.488 3.632 50 30 GHEAMO C=CC[N@H+]1C[C@@H](C(=O)NCCc2ccc(OC)cc2)CC[C@H]1c1ccccc1 ZINC000037546670 518870166 /nfs/dbraw/zinc/87/01/66/518870166.db2.gz ZXBBCBLJKWHHFA-GMAHTHKFSA-N 1 1 378.516 3.993 50 30 GHEAMO C[N@@H+](CC#CCNC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000090590659 522418020 /nfs/dbraw/zinc/41/80/20/522418020.db2.gz CMTXWJLCILEOOC-UHFFFAOYSA-N 1 1 375.394 3.962 50 30 GHEAMO C=C(Cl)Cn1c2cc(F)ccc2cc(C[N@@H+](C)Cc2c(C)n[nH]c2C)c1=O ZINC000299772849 570652621 /nfs/dbraw/zinc/65/26/21/570652621.db2.gz AZDSUQAAVZXSOZ-UHFFFAOYSA-N 1 1 388.874 3.865 50 30 GHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)c1ccccc1F ZINC000058015422 570707346 /nfs/dbraw/zinc/70/73/46/570707346.db2.gz ZGTOJAQXPZRREJ-LJQANCHMSA-N 1 1 383.442 3.919 50 30 GHEAMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)c1ccccc1F ZINC000058015422 570707348 /nfs/dbraw/zinc/70/73/48/570707348.db2.gz ZGTOJAQXPZRREJ-LJQANCHMSA-N 1 1 383.442 3.919 50 30 GHEAMO CC(C)c1cc(NCCC[NH+]2CCOCC2)n2c3ccccc3nc2c1C#N ZINC000019682084 860316236 /nfs/dbraw/zinc/31/62/36/860316236.db2.gz YXCNPUIUUCJKHL-UHFFFAOYSA-N 1 1 377.492 3.617 50 30 GHEAMO CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CC[NH+](C)CC2)n1 ZINC000019820351 860386345 /nfs/dbraw/zinc/38/63/45/860386345.db2.gz BVJBRZDGDUEPTG-UHFFFAOYSA-N 1 1 381.549 3.786 50 30 GHEAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NN1CC[NH+](C)CC1 ZINC000254823296 917060989 /nfs/dbraw/zinc/06/09/89/917060989.db2.gz DAXHLMSQWDWKBL-UHFFFAOYSA-N 1 1 393.466 3.693 50 30 GHEAMO CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000052801335 222007648 /nfs/dbraw/zinc/00/76/48/222007648.db2.gz UVFLIJHPRKQVQD-QGZVFWFLSA-N 1 1 394.544 3.819 50 30 GHEAMO CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000052801335 222007650 /nfs/dbraw/zinc/00/76/50/222007650.db2.gz UVFLIJHPRKQVQD-QGZVFWFLSA-N 1 1 394.544 3.819 50 30 GHEAMO C[C@H](Oc1ccc(Br)cc1)C(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000005059948 525925888 /nfs/dbraw/zinc/92/58/88/525925888.db2.gz PQIPTIUZYLTGQH-JTQLQIEISA-N 1 1 397.656 3.734 50 30 GHEAMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000020947686 526448954 /nfs/dbraw/zinc/44/89/54/526448954.db2.gz OFJOFVYOZIUQOZ-FQEVSTJZSA-N 1 1 391.471 3.542 50 30 GHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000020947686 526448957 /nfs/dbraw/zinc/44/89/57/526448957.db2.gz OFJOFVYOZIUQOZ-FQEVSTJZSA-N 1 1 391.471 3.542 50 30 GHEAMO CCCCCCCCSC[C@H](O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263586779 528133276 /nfs/dbraw/zinc/13/32/76/528133276.db2.gz XVCNYYCPAKHFJJ-XUVXKRRUSA-N 1 1 392.609 3.722 50 30 biogenic GHEAMO C=CCOc1ccccc1CN1CC[N@H+](Cc2ccc(C)cc2)[C@H](CCO)C1 ZINC000104472517 570259376 /nfs/dbraw/zinc/25/93/76/570259376.db2.gz SGDWDRLXGWBWHR-HSZRJFAPSA-N 1 1 380.532 3.629 50 30 GHEAMO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000229646509 899019993 /nfs/dbraw/zinc/01/99/93/899019993.db2.gz QLPZKRPBOHXFKB-OAGGEKHMSA-N 1 1 398.532 3.899 50 30 GHEAMO C=CCOc1cc(Cl)c(C[N@H+]2CCCC[C@@H]2CCNC(C)=O)cc1OC ZINC000952961227 904639921 /nfs/dbraw/zinc/63/99/21/904639921.db2.gz AJCQWOKSDJPVBV-QGZVFWFLSA-N 1 1 380.916 3.794 50 30 GHEAMO [NH2+]=C(NOC(=O)[C@H]1C[C@@H]1c1ccccc1F)c1cccc(Br)c1 ZINC000008986393 922494963 /nfs/dbraw/zinc/49/49/63/922494963.db2.gz KTHBXOVWKFZTNS-KGLIPLIRSA-N 1 1 377.213 3.555 50 30 GHEAMO N#Cc1cccc(/C=C\C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000096256174 212152953 /nfs/dbraw/zinc/15/29/53/212152953.db2.gz UEFXTFUXGUEOGU-ALCCZGGFSA-N 1 1 381.426 3.630 50 30 GHEAMO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000058157029 222041958 /nfs/dbraw/zinc/04/19/58/222041958.db2.gz ZLOCJQLSIRULDL-UHFFFAOYSA-N 1 1 388.924 3.991 50 30 GHEAMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4ncsc4c3)CC2)cc1 ZINC000023752697 570332596 /nfs/dbraw/zinc/33/25/96/570332596.db2.gz BYZWBBZVRXKYFC-UHFFFAOYSA-N 1 1 376.485 3.516 50 30 GHEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4ncsc4c3)CC2)cc1 ZINC000023752697 570332598 /nfs/dbraw/zinc/33/25/98/570332598.db2.gz BYZWBBZVRXKYFC-UHFFFAOYSA-N 1 1 376.485 3.516 50 30 GHEAMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000032769756 570804039 /nfs/dbraw/zinc/80/40/39/570804039.db2.gz SXQAFVOVRFIXJQ-CQSZACIVSA-N 1 1 382.869 3.738 50 30 GHEAMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000032769756 570804042 /nfs/dbraw/zinc/80/40/42/570804042.db2.gz SXQAFVOVRFIXJQ-CQSZACIVSA-N 1 1 382.869 3.738 50 30 GHEAMO Cc1cccc(-c2noc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n2)c1 ZINC000029712136 862046505 /nfs/dbraw/zinc/04/65/05/862046505.db2.gz TXWWYTWYVJBTBA-UHFFFAOYSA-N 1 1 387.487 3.625 50 30 GHEAMO N#Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000040046960 856640243 /nfs/dbraw/zinc/64/02/43/856640243.db2.gz TYCDGDZIGGLYEW-UHFFFAOYSA-N 1 1 387.405 3.925 50 30 GHEAMO N#Cc1ccccc1CN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000027772002 857970357 /nfs/dbraw/zinc/97/03/57/857970357.db2.gz YVYVKGVOVOOZDQ-UHFFFAOYSA-N 1 1 375.394 3.775 50 30 GHEAMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4ccccc4cc3O)CC2)cc1 ZINC000014249670 221306913 /nfs/dbraw/zinc/30/69/13/221306913.db2.gz CIWGKAFRWPLTPV-UHFFFAOYSA-N 1 1 385.467 3.765 50 30 GHEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4ccccc4cc3O)CC2)cc1 ZINC000014249670 221306916 /nfs/dbraw/zinc/30/69/16/221306916.db2.gz CIWGKAFRWPLTPV-UHFFFAOYSA-N 1 1 385.467 3.765 50 30 GHEAMO CCc1cc(C#N)ccc1NC(=O)c1cccc(C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000067907830 222166689 /nfs/dbraw/zinc/16/66/89/222166689.db2.gz ULRWVCWFHZZBGW-LJQANCHMSA-N 1 1 377.488 3.577 50 30 GHEAMO Cc1cc(C)c(C#N)c(NCc2cc3n(n2)CCC[N@H+](C2CCCCC2)C3)n1 ZINC000082166970 222312913 /nfs/dbraw/zinc/31/29/13/222312913.db2.gz HKTPSRRYNCUYDS-UHFFFAOYSA-N 1 1 378.524 3.917 50 30 GHEAMO CN(C(=O)C[N@H+](C)Cc1ccc(Br)cc1)C1(C#N)CCCCC1 ZINC000032751428 522421633 /nfs/dbraw/zinc/42/16/33/522421633.db2.gz BNTNLYXKZVIGJZ-UHFFFAOYSA-N 1 1 378.314 3.566 50 30 GHEAMO CN(C(=O)C[N@@H+](C)Cc1ccc(Br)cc1)C1(C#N)CCCCC1 ZINC000032751428 522421646 /nfs/dbraw/zinc/42/16/46/522421646.db2.gz BNTNLYXKZVIGJZ-UHFFFAOYSA-N 1 1 378.314 3.566 50 30 GHEAMO C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)N(CCC#N)c1ccccc1F ZINC000006977063 522908464 /nfs/dbraw/zinc/90/84/64/522908464.db2.gz UYEPDNOMSMQOCF-UHFFFAOYSA-N 1 1 389.858 3.737 50 30 GHEAMO C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)N(CCC#N)c1ccccc1F ZINC000006977063 522908467 /nfs/dbraw/zinc/90/84/67/522908467.db2.gz UYEPDNOMSMQOCF-UHFFFAOYSA-N 1 1 389.858 3.737 50 30 GHEAMO CN(Cc1ccc(C#CCO)s1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000019635416 570282460 /nfs/dbraw/zinc/28/24/60/570282460.db2.gz KUOUITQZWORBSQ-OAQYLSRUSA-N 1 1 382.573 3.621 50 30 GHEAMO C[N@H+](Cc1ccc(C#CCO)s1)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000019635416 570282462 /nfs/dbraw/zinc/28/24/62/570282462.db2.gz KUOUITQZWORBSQ-OAQYLSRUSA-N 1 1 382.573 3.621 50 30 GHEAMO C[N@@H+](Cc1ccc(C#CCO)s1)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000019635416 570282464 /nfs/dbraw/zinc/28/24/64/570282464.db2.gz KUOUITQZWORBSQ-OAQYLSRUSA-N 1 1 382.573 3.621 50 30 GHEAMO C=CCOc1cc(Cl)c(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1OC ZINC000820491558 862010242 /nfs/dbraw/zinc/01/02/42/862010242.db2.gz OCIBWAWPCGKFSZ-MRXNPFEDSA-N 1 1 392.927 3.748 50 30 GHEAMO CC(C)(O)C#Cc1ccc(C[NH+]2CCN(c3nsc4ccccc43)CC2)s1 ZINC000820608334 862073941 /nfs/dbraw/zinc/07/39/41/862073941.db2.gz ZSAKQUFTDHDFQN-UHFFFAOYSA-N 1 1 397.569 3.802 50 30 GHEAMO Cc1ccc(C[NH+]2CCN(N=Cc3cc(Br)ccc3O)CC2)cc1 ZINC000254346894 851489094 /nfs/dbraw/zinc/48/90/94/851489094.db2.gz FALYANJBKWCKGZ-UHFFFAOYSA-N 1 1 388.309 3.615 50 30 GHEAMO CC[NH+]1CCN(c2oc(COc3ccc(-c4ccccc4)cc3)nc2C#N)CC1 ZINC000002421266 858683888 /nfs/dbraw/zinc/68/38/88/858683888.db2.gz CKVCZLKVWCAEAR-UHFFFAOYSA-N 1 1 388.471 3.934 50 30 GHEAMO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccccc1)C2 ZINC000014537771 919332601 /nfs/dbraw/zinc/33/26/01/919332601.db2.gz KJDCABNRKUFSOH-HXUWFJFHSA-N 1 1 392.547 3.685 50 30 GHEAMO C#Cc1ccc([C@@H]2C[C@H]3CN(Cc4ccc(OC)cc4)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000012590795 518358535 /nfs/dbraw/zinc/35/85/35/518358535.db2.gz HDNLQJHQUJUFNO-RSEQLOHWSA-N 1 1 386.495 3.615 50 30 GHEAMO OCC[N@H+](CC#CC[C@](O)(c1ccccc1)C1CCCC1)CCc1ccccc1 ZINC000001817756 570436058 /nfs/dbraw/zinc/43/60/58/570436058.db2.gz CNQUSGVDECGRSM-SANMLTNESA-N 1 1 391.555 3.995 50 30 GHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCC[C@H](C(=O)OCC)C4)[C@H]3C[C@@H]12 ZINC000105377655 570923233 /nfs/dbraw/zinc/92/32/33/570923233.db2.gz WPQMZZXIPRONLR-YWAVYKJCSA-N 1 1 389.536 3.576 50 30 biogenic GHEAMO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)CC1 ZINC000095523796 570996041 /nfs/dbraw/zinc/99/60/41/570996041.db2.gz CWQBVIAJNRWEGW-LJQANCHMSA-N 1 1 394.563 3.798 50 30 GHEAMO C#Cc1ccc([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000012314918 212096476 /nfs/dbraw/zinc/09/64/76/212096476.db2.gz YEFLLSJXELNSMP-GVUKDKGQSA-N 1 1 382.507 3.573 50 30 GHEAMO CCCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000014198604 221304162 /nfs/dbraw/zinc/30/41/62/221304162.db2.gz HAIMVEOWFKNEQP-UHFFFAOYSA-N 1 1 377.488 3.695 50 30 GHEAMO CCCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000014198604 221304165 /nfs/dbraw/zinc/30/41/65/221304165.db2.gz HAIMVEOWFKNEQP-UHFFFAOYSA-N 1 1 377.488 3.695 50 30 GHEAMO C=C(C)C[NH+]1CCN(c2nc(CCCC)c3c(c2C#N)CC(C)(C)OC3)CC1 ZINC000095473221 518607266 /nfs/dbraw/zinc/60/72/66/518607266.db2.gz QWHYGFVSGIUNIQ-UHFFFAOYSA-N 1 1 382.552 3.845 50 30 GHEAMO C=CCn1c(N[NH+]=Cc2ccc(N(CC)CC)cc2)nc2ccccc2c1=O ZINC000038193568 519195364 /nfs/dbraw/zinc/19/53/64/519195364.db2.gz KHQHFWILRFFXNZ-KQWNVCNZSA-N 1 1 375.476 3.875 50 30 GHEAMO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000032751574 521246508 /nfs/dbraw/zinc/24/65/08/521246508.db2.gz HAQDSLUNVCBZNU-NRFANRHFSA-N 1 1 381.476 3.758 50 30 GHEAMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000032751574 521246512 /nfs/dbraw/zinc/24/65/12/521246512.db2.gz HAQDSLUNVCBZNU-NRFANRHFSA-N 1 1 381.476 3.758 50 30 GHEAMO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000032751576 521272806 /nfs/dbraw/zinc/27/28/06/521272806.db2.gz HAQDSLUNVCBZNU-OAQYLSRUSA-N 1 1 381.476 3.758 50 30 GHEAMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000032751576 521272812 /nfs/dbraw/zinc/27/28/12/521272812.db2.gz HAQDSLUNVCBZNU-OAQYLSRUSA-N 1 1 381.476 3.758 50 30 GHEAMO CN1CCC[C@H](C[N@H+](CCc2ccccc2)Cc2ccc(C#CCCO)cc2)C1 ZINC000011815679 523840182 /nfs/dbraw/zinc/84/01/82/523840182.db2.gz DJDBCODKAZHSBU-SANMLTNESA-N 1 1 390.571 3.807 50 30 GHEAMO CN1CCC[C@H](C[N@@H+](CCc2ccccc2)Cc2ccc(C#CCCO)cc2)C1 ZINC000011815679 523840187 /nfs/dbraw/zinc/84/01/87/523840187.db2.gz DJDBCODKAZHSBU-SANMLTNESA-N 1 1 390.571 3.807 50 30 GHEAMO Cc1cc(OCC(=O)ONC(=[NH2+])c2ccc(Cl)cc2)ccc1Br ZINC000005092454 525367781 /nfs/dbraw/zinc/36/77/81/525367781.db2.gz VKEIYUPGJSRENX-UHFFFAOYSA-N 1 1 397.656 3.653 50 30 GHEAMO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccc(F)cc3)C3CCOCC3)o2)cc1 ZINC000252483278 570969139 /nfs/dbraw/zinc/96/91/39/570969139.db2.gz DYIGSZYACPBQKG-UHFFFAOYSA-N 1 1 392.434 3.929 50 30 GHEAMO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccc(F)cc3)C3CCOCC3)o2)cc1 ZINC000252483278 570969141 /nfs/dbraw/zinc/96/91/41/570969141.db2.gz DYIGSZYACPBQKG-UHFFFAOYSA-N 1 1 392.434 3.929 50 30 GHEAMO C[N@@H+](CCOc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000084199942 571008981 /nfs/dbraw/zinc/00/89/81/571008981.db2.gz QLRZUVGPWJWZRP-DFNIBXOVSA-N 1 1 385.508 3.799 50 30 GHEAMO COCCO[C@H]1C[N@@H+](C2CCN(Cc3ccccc3C#N)CC2)C12CCCCC2 ZINC000575317298 865991147 /nfs/dbraw/zinc/99/11/47/865991147.db2.gz JIMVSXNUHLWNGX-QHCPKHFHSA-N 1 1 397.563 3.573 50 30 GHEAMO CC(C)[Si](C#CCN1CCCCC1)(C#CC[NH+]1CCCCC1)c1ccccc1 ZINC000169794438 212112412 /nfs/dbraw/zinc/11/24/12/212112412.db2.gz CCHIRTFXCGFNGI-UHFFFAOYSA-N 1 1 392.663 3.809 50 30 GHEAMO OCC#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3)s1 ZINC000020203106 212105502 /nfs/dbraw/zinc/10/55/02/212105502.db2.gz MXYGCKDNXIBMTQ-QHCPKHFHSA-N 1 1 398.547 3.719 50 30 GHEAMO OCC#Cc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)s1 ZINC000020203106 212105504 /nfs/dbraw/zinc/10/55/04/212105504.db2.gz MXYGCKDNXIBMTQ-QHCPKHFHSA-N 1 1 398.547 3.719 50 30 GHEAMO OCC#Cc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)s1 ZINC000020203106 212105505 /nfs/dbraw/zinc/10/55/05/212105505.db2.gz MXYGCKDNXIBMTQ-QHCPKHFHSA-N 1 1 398.547 3.719 50 30 GHEAMO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3=CC(=O)CC(C)(C)O3)C2)cc1 ZINC000011754021 519436024 /nfs/dbraw/zinc/43/60/24/519436024.db2.gz LMZZMFSUYSJSCU-HXUWFJFHSA-N 1 1 398.547 3.618 50 30 GHEAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3=CC(=O)CC(C)(C)O3)C2)cc1 ZINC000011754021 519436035 /nfs/dbraw/zinc/43/60/35/519436035.db2.gz LMZZMFSUYSJSCU-HXUWFJFHSA-N 1 1 398.547 3.618 50 30 GHEAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC000011933566 570234624 /nfs/dbraw/zinc/23/46/24/570234624.db2.gz KRTKMINUDJVRFF-QFIPXVFZSA-N 1 1 390.527 3.855 50 30 GHEAMO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@H+]1CCc2ccccc2C1 ZINC000004028451 913081440 /nfs/dbraw/zinc/08/14/40/913081440.db2.gz QRQMVOJVQOCKSG-MUWCXKAGSA-N 1 1 381.516 3.572 50 30 biogenic GHEAMO CC[NH+]1CCN(c2oc(-c3ccc(COc4ccccc4C)o3)nc2C#N)CC1 ZINC000008654795 221049119 /nfs/dbraw/zinc/04/91/19/221049119.db2.gz BDKJNOPSOSKJIR-UHFFFAOYSA-N 1 1 392.459 3.836 50 30 GHEAMO COc1cccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000011184545 221112328 /nfs/dbraw/zinc/11/23/28/221112328.db2.gz HLQUINMXLCQQJJ-UHFFFAOYSA-N 1 1 383.517 3.968 50 30 GHEAMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000013001564 221255656 /nfs/dbraw/zinc/25/56/56/221255656.db2.gz QLPZKRPBOHXFKB-BZUAXINKSA-N 1 1 398.532 3.899 50 30 GHEAMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000014995581 518599915 /nfs/dbraw/zinc/59/99/15/518599915.db2.gz RJKORZYNKZZOPA-UHFFFAOYSA-N 1 1 397.563 3.575 50 30 GHEAMO CCOc1cc(C(=O)ONC(=[NH2+])c2cccc(C)c2)cc(OCC)c1OCC ZINC000004905819 570498540 /nfs/dbraw/zinc/49/85/40/570498540.db2.gz QSFNZSZCWPBKLT-UHFFFAOYSA-N 1 1 386.448 3.668 50 30 GHEAMO C=CCOc1ccc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000229622137 862057973 /nfs/dbraw/zinc/05/79/73/862057973.db2.gz NYJSUCRLCOMXSB-JNSUZQQQSA-N 1 1 392.499 3.789 50 30 GHEAMO C=CCOc1ccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000229622137 862057988 /nfs/dbraw/zinc/05/79/88/862057988.db2.gz NYJSUCRLCOMXSB-JNSUZQQQSA-N 1 1 392.499 3.789 50 30 GHEAMO CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1cc[nH+]c1C ZINC000000939694 212197006 /nfs/dbraw/zinc/19/70/06/212197006.db2.gz RGAYXBKAODFERC-UHFFFAOYSA-N 1 1 387.443 3.657 50 30 GHEAMO CC(C)(O)C#Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000012756686 212098522 /nfs/dbraw/zinc/09/85/22/212098522.db2.gz YDIBGUYDVCSQEN-JOCHJYFZSA-N 1 1 382.548 3.584 50 30 GHEAMO Cc1ccccc1C[C@]1(CO)CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000012715560 212098386 /nfs/dbraw/zinc/09/83/86/212098386.db2.gz UOUHPWBPTRVDLO-AREMUKBSSA-N 1 1 391.555 3.935 50 30 GHEAMO N#Cc1c(N)nc2c(c1-c1c[nH]c3ccccc13)C[N@H+](Cc1cccnc1)CC2 ZINC000072163497 222215595 /nfs/dbraw/zinc/21/55/95/222215595.db2.gz MKKSKAMNEYVKPZ-UHFFFAOYSA-N 1 1 380.455 3.637 50 30 GHEAMO N#Cc1c(N)nc2c(c1-c1c[nH]c3ccccc13)C[N@@H+](Cc1cccnc1)CC2 ZINC000072163497 222215597 /nfs/dbraw/zinc/21/55/97/222215597.db2.gz MKKSKAMNEYVKPZ-UHFFFAOYSA-N 1 1 380.455 3.637 50 30 GHEAMO C[NH+]=C(Nc1ccc(C)c(C)c1)S[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000018127693 523668661 /nfs/dbraw/zinc/66/86/61/523668661.db2.gz WSIKUVDZKVQLGC-SFHVURJKSA-N 1 1 397.500 3.584 50 30 GHEAMO Cn1c(CC[NH+]2CCOCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000013540386 527048466 /nfs/dbraw/zinc/04/84/66/527048466.db2.gz LSLFDTZEIAFANZ-UHFFFAOYSA-N 1 1 398.894 3.738 50 30 GHEAMO OCC[N@@H+](CC#CCC(O)(c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000055470065 527547965 /nfs/dbraw/zinc/54/79/65/527547965.db2.gz DVSUTGOTFRQZRE-UHFFFAOYSA-N 1 1 385.507 3.811 50 30 GHEAMO C=CCOc1ccccc1CN1CC[N@H+](Cc2ccc(C)cc2)[C@@H](CCO)C1 ZINC000023359423 570300256 /nfs/dbraw/zinc/30/02/56/570300256.db2.gz SGDWDRLXGWBWHR-QHCPKHFHSA-N 1 1 380.532 3.629 50 30 GHEAMO Cc1sc(Nc2nc3ccccc3nc2N2CC[NH+](C)CC2)c(C#N)c1C ZINC000002344039 855254189 /nfs/dbraw/zinc/25/41/89/855254189.db2.gz GWJDBAMRQMLSOD-UHFFFAOYSA-N 1 1 378.505 3.675 50 30 GHEAMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000408512835 231048239 /nfs/dbraw/zinc/04/82/39/231048239.db2.gz CTPDYSKTKRYXHO-VAMGGRTRSA-N 1 1 393.531 3.876 50 30 GHEAMO CC[NH+]1CCN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)CC1 ZINC000012418887 221191505 /nfs/dbraw/zinc/19/15/05/221191505.db2.gz WTRTZSCJYAGCQD-UHFFFAOYSA-N 1 1 378.432 3.527 50 30 GHEAMO C[N@@H+](CCOc1ccccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095954495 222364578 /nfs/dbraw/zinc/36/45/78/222364578.db2.gz JCOGFZTXCVNGBR-PKOBYXMFSA-N 1 1 377.271 3.834 50 30 GHEAMO COc1ccc(F)c(C[N@H+]2CCC[C@]3(CCN(c4cc(C#N)ccn4)C3)C2)c1 ZINC000426615060 533903049 /nfs/dbraw/zinc/90/30/49/533903049.db2.gz GFZHAPSRBNWDRP-QFIPXVFZSA-N 1 1 380.467 3.593 50 30 GHEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)[C@H](C)C(C)C ZINC000035840567 518305873 /nfs/dbraw/zinc/30/58/73/518305873.db2.gz CZVPUEKEXVFVJS-XXBNENTESA-N 1 1 386.511 3.533 50 30 GHEAMO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2F)c1 ZINC000054668289 524176742 /nfs/dbraw/zinc/17/67/42/524176742.db2.gz UXHWDCYCADYWHK-HXUWFJFHSA-N 1 1 381.451 3.918 50 30 GHEAMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2F)c1 ZINC000054668289 524176750 /nfs/dbraw/zinc/17/67/50/524176750.db2.gz UXHWDCYCADYWHK-HXUWFJFHSA-N 1 1 381.451 3.918 50 30 GHEAMO OCC#Cc1csc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000828644663 865329768 /nfs/dbraw/zinc/32/97/68/865329768.db2.gz UPMQWQTYTORJNR-GOSISDBHSA-N 1 1 379.485 3.522 50 30 GHEAMO C=C(C)C[N@H+](CC)[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccoc3)nn2CC)C1 ZINC000014532643 919333215 /nfs/dbraw/zinc/33/32/15/919333215.db2.gz WWNWHEZRQLSKMO-GOSISDBHSA-N 1 1 384.524 3.524 50 30 GHEAMO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([N@@H+](C)Cc1ccccc1)C2 ZINC000014537772 212098649 /nfs/dbraw/zinc/09/86/49/212098649.db2.gz KJDCABNRKUFSOH-FQEVSTJZSA-N 1 1 392.547 3.685 50 30 GHEAMO C=CCOc1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000012887318 212097643 /nfs/dbraw/zinc/09/76/43/212097643.db2.gz NYJSUCRLCOMXSB-KONDSOJQSA-N 1 1 392.499 3.789 50 30 GHEAMO C=CCOc1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000012887318 212097644 /nfs/dbraw/zinc/09/76/44/212097644.db2.gz NYJSUCRLCOMXSB-KONDSOJQSA-N 1 1 392.499 3.789 50 30 GHEAMO Cc1ccc(I)c(O)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000095996991 222370008 /nfs/dbraw/zinc/37/00/08/222370008.db2.gz KYGIIVNOENYMFT-UHFFFAOYSA-N 1 1 392.240 3.809 50 30 GHEAMO Cc1ccc(I)c(O)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000095996991 222370012 /nfs/dbraw/zinc/37/00/12/222370012.db2.gz KYGIIVNOENYMFT-UHFFFAOYSA-N 1 1 392.240 3.809 50 30 GHEAMO C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCC[NH+]1CCOCC1 ZINC000019808156 519120634 /nfs/dbraw/zinc/12/06/34/519120634.db2.gz ARWMJWIEEVDBEO-UHFFFAOYSA-N 1 1 389.503 3.530 50 30 GHEAMO C=CCOc1ccccc1[C@@H]1C[C@H]2CN(Cc3cccnc3)C(=O)[C@]23CCC[N@@H+]13 ZINC000011938314 570234342 /nfs/dbraw/zinc/23/43/42/570234342.db2.gz KJAXNWHOMBCLLB-PTLVVNQVSA-N 1 1 389.499 3.584 50 30 GHEAMO COc1ccc(C(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000004907468 570498905 /nfs/dbraw/zinc/49/89/05/570498905.db2.gz HGILLBCWWNCWJB-UHFFFAOYSA-N 1 1 398.202 3.582 50 30 GHEAMO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000103940146 570890654 /nfs/dbraw/zinc/89/06/54/570890654.db2.gz QLPZKRPBOHXFKB-XHSDSOJGSA-N 1 1 398.532 3.899 50 30 GHEAMO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000103940146 570890658 /nfs/dbraw/zinc/89/06/58/570890658.db2.gz QLPZKRPBOHXFKB-XHSDSOJGSA-N 1 1 398.532 3.899 50 30 GHEAMO CC[C@@H](c1nnc(Sc2ncccc2C#N)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000032907706 570908477 /nfs/dbraw/zinc/90/84/77/570908477.db2.gz IYAPYACLUJZFEO-KRWDZBQOSA-N 1 1 394.504 3.706 50 30 GHEAMO C=C(C)Cn1nc(C)c(CCC(=O)N(C)C[C@H]2CCC[N@H+]3CCCC[C@H]23)c1C ZINC000299754375 861291315 /nfs/dbraw/zinc/29/13/15/861291315.db2.gz FCSPNRIJBMXIIB-IFMALSPDSA-N 1 1 386.584 3.732 50 30 biogenic GHEAMO C=CCn1cc(C[N@H+]2CC[C@]3(C2)CCCN(CC2CCCCC2)C3=O)c(C)n1 ZINC000012315271 212096032 /nfs/dbraw/zinc/09/60/32/212096032.db2.gz YJBIJLFLCUSKSX-QHCPKHFHSA-N 1 1 384.568 3.772 50 30 GHEAMO CC[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000009513889 221082821 /nfs/dbraw/zinc/08/28/21/221082821.db2.gz ZWIDDFIUNBUGQT-JOCHJYFZSA-N 1 1 390.531 3.969 50 30 GHEAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)COc3ccc(C#N)cc3)n2)C1 ZINC000012755629 221225376 /nfs/dbraw/zinc/22/53/76/221225376.db2.gz UQSTWRLVZWIXRW-GASCZTMLSA-N 1 1 384.505 3.510 50 30 GHEAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)COc3ccc(C#N)cc3)n2)C1 ZINC000012755629 221225379 /nfs/dbraw/zinc/22/53/79/221225379.db2.gz UQSTWRLVZWIXRW-GASCZTMLSA-N 1 1 384.505 3.510 50 30 GHEAMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000014232045 221305848 /nfs/dbraw/zinc/30/58/48/221305848.db2.gz DSZBRVJRRNULMA-UHFFFAOYSA-N 1 1 398.304 3.669 50 30 GHEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000014232045 221305850 /nfs/dbraw/zinc/30/58/50/221305850.db2.gz DSZBRVJRRNULMA-UHFFFAOYSA-N 1 1 398.304 3.669 50 30 GHEAMO CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000096150856 222390960 /nfs/dbraw/zinc/39/09/60/222390960.db2.gz HIWTVFKPNKOUOI-HXUWFJFHSA-N 1 1 378.476 3.695 50 30 GHEAMO C#CC[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@@H]1CCc2ccccc21 ZINC000032935648 518256056 /nfs/dbraw/zinc/25/60/56/518256056.db2.gz UTUYSILQVVKVPX-OAQYLSRUSA-N 1 1 398.453 3.569 50 30 GHEAMO C#CC[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@@H]1CCc2ccccc21 ZINC000032935648 518256063 /nfs/dbraw/zinc/25/60/63/518256063.db2.gz UTUYSILQVVKVPX-OAQYLSRUSA-N 1 1 398.453 3.569 50 30 GHEAMO C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000015064103 570246804 /nfs/dbraw/zinc/24/68/04/570246804.db2.gz XJSXDYGFPWHAGI-JOCHJYFZSA-N 1 1 383.580 3.788 50 30 GHEAMO CC(C)c1ccc(OCC(=O)ONC(=[NH2+])c2ccc(Br)cc2)cc1 ZINC000004685111 570392905 /nfs/dbraw/zinc/39/29/05/570392905.db2.gz WXZSSTWWEAYHPK-UHFFFAOYSA-N 1 1 391.265 3.815 50 30 GHEAMO N#Cc1nc(COc2ccc(F)cc2)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000054061546 570438472 /nfs/dbraw/zinc/43/84/72/570438472.db2.gz KDBMTBGGSOYBFT-UHFFFAOYSA-N 1 1 392.434 3.587 50 30 GHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)C[C@@H](O)c4cccc(O)c4)[C@H]3C[C@@H]12 ZINC000004026042 570903896 /nfs/dbraw/zinc/90/38/96/570903896.db2.gz VUCLZXQOYVRHRE-YPFPNKMGSA-N 1 1 399.531 3.672 50 30 biogenic GHEAMO Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1C#N ZINC000009386301 857174329 /nfs/dbraw/zinc/17/43/29/857174329.db2.gz VYHNSEOHRIBXOP-ZCNNSNEGSA-N 1 1 398.551 3.606 50 30 GHEAMO OCC#Cc1csc(CN2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1 ZINC000011842637 857588957 /nfs/dbraw/zinc/58/89/57/857588957.db2.gz LAJMKEIEYIBNKQ-XMMPIXPASA-N 1 1 394.584 3.623 50 30 GHEAMO O=C1Oc2ccccc2C(=O)C1=CNCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000825571629 864459776 /nfs/dbraw/zinc/45/97/76/864459776.db2.gz HMKUHNZKZYLBCB-FOWTUZBSSA-N 1 1 393.830 3.576 50 30 GHEAMO COCCO[C@H]1C[N@@H+](C2CCN(Cc3ccc(C#N)cc3)CC2)C12CCCCC2 ZINC000581802004 870001733 /nfs/dbraw/zinc/00/17/33/870001733.db2.gz CIRQFXLXSYDOEZ-QHCPKHFHSA-N 1 1 397.563 3.573 50 30 GHEAMO COCCO[C@H]1CN(C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C12CCCCC2 ZINC000581802004 870001743 /nfs/dbraw/zinc/00/17/43/870001743.db2.gz CIRQFXLXSYDOEZ-QHCPKHFHSA-N 1 1 397.563 3.573 50 30 GHEAMO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058265005 222046737 /nfs/dbraw/zinc/04/67/37/222046737.db2.gz XRVJOQDMGKSSFM-JOCHJYFZSA-N 1 1 376.504 3.612 50 30 GHEAMO C[N@H+](C[C@@H](O)COc1cccc(CN2CCC(C)(C#N)CC2)c1)C1CCCCC1 ZINC000095505597 523024322 /nfs/dbraw/zinc/02/43/22/523024322.db2.gz CMAXZNJSWDXWCU-JOCHJYFZSA-N 1 1 399.579 3.816 50 30 GHEAMO C[N@@H+](C[C@@H](O)COc1cccc(CN2CCC(C)(C#N)CC2)c1)C1CCCCC1 ZINC000095505597 523024331 /nfs/dbraw/zinc/02/43/31/523024331.db2.gz CMAXZNJSWDXWCU-JOCHJYFZSA-N 1 1 399.579 3.816 50 30 GHEAMO Cc1noc(C)c1C[N@@H+](C)CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000095456882 526499763 /nfs/dbraw/zinc/49/97/63/526499763.db2.gz PRKAWHVELLLFLP-INIZCTEOSA-N 1 1 395.290 3.801 50 30 GHEAMO OCC[N@@H+](CC#CC[C@@](O)(c1ccccc1)C1CCCC1)Cc1ccccc1 ZINC000067191232 527548276 /nfs/dbraw/zinc/54/82/76/527548276.db2.gz IGMDWLAMTIDLGJ-RUZDIDTESA-N 1 1 377.528 3.952 50 30 GHEAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)c1 ZINC000015026913 570872539 /nfs/dbraw/zinc/87/25/39/570872539.db2.gz PHOZSAKHRMDSQU-IBGZPJMESA-N 1 1 385.508 3.526 50 30 GHEAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)c1 ZINC000015026913 570872542 /nfs/dbraw/zinc/87/25/42/570872542.db2.gz PHOZSAKHRMDSQU-IBGZPJMESA-N 1 1 385.508 3.526 50 30 GHEAMO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000105637152 570931112 /nfs/dbraw/zinc/93/11/12/570931112.db2.gz RECVXAWEOQRRLQ-OALUTQOASA-N 1 1 391.515 3.874 50 30 GHEAMO CC(C)[N@H+](CCCSCC#N)C[C@H]1CCCN(CCCSCC#N)C1 ZINC000095979976 860731720 /nfs/dbraw/zinc/73/17/20/860731720.db2.gz XNRUGOYRQCCMBK-IBGZPJMESA-N 1 1 382.643 3.703 50 30 GHEAMO CC(C)[N@@H+](CCCSCC#N)C[C@H]1CCCN(CCCSCC#N)C1 ZINC000095979976 860731724 /nfs/dbraw/zinc/73/17/24/860731724.db2.gz XNRUGOYRQCCMBK-IBGZPJMESA-N 1 1 382.643 3.703 50 30 GHEAMO CN(C(=O)CC1=C(c2ccccc2)CCC1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000952983769 904669736 /nfs/dbraw/zinc/66/97/36/904669736.db2.gz QQPVBUQATOVLGR-NRFANRHFSA-N 1 1 388.511 3.926 50 30 GHEAMO N#Cc1ccc(OCC[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000015524114 221336803 /nfs/dbraw/zinc/33/68/03/221336803.db2.gz NCNUFZPAHNYBIO-UHFFFAOYSA-N 1 1 390.409 3.563 50 30 GHEAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)c(OC)c1 ZINC000020953322 525248858 /nfs/dbraw/zinc/24/88/58/525248858.db2.gz YRDILHZTEFKHSM-NRFANRHFSA-N 1 1 393.487 3.788 50 30 GHEAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)c(OC)c1 ZINC000020953322 525248866 /nfs/dbraw/zinc/24/88/66/525248866.db2.gz YRDILHZTEFKHSM-NRFANRHFSA-N 1 1 393.487 3.788 50 30 GHEAMO Cc1noc(C)c1C[N@@H+](C)CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000095456883 526500190 /nfs/dbraw/zinc/50/01/90/526500190.db2.gz PRKAWHVELLLFLP-MRXNPFEDSA-N 1 1 395.290 3.801 50 30 GHEAMO [NH2+]=C(NOC(=O)COc1ccc2ccccc2c1)c1ccc(Br)cc1 ZINC000004672615 526808081 /nfs/dbraw/zinc/80/80/81/526808081.db2.gz YBGVRNYKPSOFIM-UHFFFAOYSA-N 1 1 399.244 3.845 50 30 GHEAMO Cc1ccc(OCC(=O)ONC(=[NH2+])c2ccc(Cl)cc2)c(Br)c1 ZINC000004690137 570393670 /nfs/dbraw/zinc/39/36/70/570393670.db2.gz VOGMBCLMOPECSF-UHFFFAOYSA-N 1 1 397.656 3.653 50 30 GHEAMO C[NH+]=C(Nc1ccc(C)c(C)c1)S[C@@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000006432241 570479850 /nfs/dbraw/zinc/47/98/50/570479850.db2.gz PCAUXBZNWMSUIW-QGZVFWFLSA-N 1 1 385.464 3.715 50 30 GHEAMO COc1ccc(CCC2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000012760731 221228341 /nfs/dbraw/zinc/22/83/41/221228341.db2.gz FTKXDOHIVWCPFT-UHFFFAOYSA-N 1 1 377.488 3.850 50 30 GHEAMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3Br)CC2)cc1 ZINC000014232042 221305792 /nfs/dbraw/zinc/30/57/92/221305792.db2.gz QMFYUOLBNHAMRT-UHFFFAOYSA-N 1 1 398.304 3.669 50 30 GHEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3Br)CC2)cc1 ZINC000014232042 221305793 /nfs/dbraw/zinc/30/57/93/221305793.db2.gz QMFYUOLBNHAMRT-UHFFFAOYSA-N 1 1 398.304 3.669 50 30 GHEAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccc(C#N)cc2F)CC1 ZINC000000680128 136196075 /nfs/dbraw/zinc/19/60/75/136196075.db2.gz SMVRBZXOGCFTMV-UHFFFAOYSA-N 1 1 386.858 3.745 50 30 GHEAMO N#Cc1ccc(N2CCC[N@H+](C[C@@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000051371293 222005952 /nfs/dbraw/zinc/00/59/52/222005952.db2.gz ZTGOXWKHMOLPIG-HXUWFJFHSA-N 1 1 389.421 3.823 50 30 GHEAMO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058265004 222046724 /nfs/dbraw/zinc/04/67/24/222046724.db2.gz XRVJOQDMGKSSFM-QFIPXVFZSA-N 1 1 376.504 3.612 50 30 GHEAMO COc1ccc(N[C@H]2CCC[N@@H+](Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1 ZINC000012449522 570237641 /nfs/dbraw/zinc/23/76/41/570237641.db2.gz PQESDQHHXWJEPL-QFIPXVFZSA-N 1 1 378.516 3.894 50 30 GHEAMO COc1ccc(-c2nc(-c3ccc(C)cc3)nc(N3CC[NH+](C)CC3)c2C#N)cc1 ZINC000005417033 570588976 /nfs/dbraw/zinc/58/89/76/570588976.db2.gz HUVGWMNVXDGUNS-UHFFFAOYSA-N 1 1 399.498 3.751 50 30 GHEAMO COc1ccc(CCC2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000024981620 570642041 /nfs/dbraw/zinc/64/20/41/570642041.db2.gz HSWLNJLKOGGKOE-UHFFFAOYSA-N 1 1 377.488 3.850 50 30 GHEAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2ccc(C#CCCO)cc2)C1 ZINC000020202279 522957150 /nfs/dbraw/zinc/95/71/50/522957150.db2.gz IOLIRSBRSFIOTD-RUZDIDTESA-N 1 1 376.544 3.559 50 30 GHEAMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000023330070 570311355 /nfs/dbraw/zinc/31/13/55/570311355.db2.gz GYQUXEDVNQGFMJ-KRWDZBQOSA-N 1 1 397.500 3.947 50 30 GHEAMO OCC[N@H+](CC#CC[C@@](O)(c1ccccc1)C1CCCC1)CCc1ccccc1 ZINC000001817754 570436203 /nfs/dbraw/zinc/43/62/03/570436203.db2.gz CNQUSGVDECGRSM-AREMUKBSSA-N 1 1 391.555 3.995 50 30 GHEAMO Cc1[nH+]ccn1CCC1CCN(C(=O)Nc2n[nH]c(-c3cccc(C)c3)n2)CC1 ZINC000063855319 570751786 /nfs/dbraw/zinc/75/17/86/570751786.db2.gz BPXXEVAMPUVQFO-UHFFFAOYSA-N 1 1 393.495 3.633 50 30 GHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)C[C@H](O)c4cccc(O)c4)[C@H]3C[C@@H]12 ZINC000004026041 570903963 /nfs/dbraw/zinc/90/39/63/570903963.db2.gz VUCLZXQOYVRHRE-NEZQKAMOSA-N 1 1 399.531 3.672 50 30 biogenic GHEAMO CC(C)(C)c1ccc(C=NOCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000254391904 916627011 /nfs/dbraw/zinc/62/70/11/916627011.db2.gz DIMNZBKPCDXVDF-UHFFFAOYSA-N 1 1 393.531 3.679 50 30 GHEAMO OCC#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3)s1 ZINC000020203103 212106141 /nfs/dbraw/zinc/10/61/41/212106141.db2.gz MXYGCKDNXIBMTQ-HSZRJFAPSA-N 1 1 398.547 3.719 50 30 GHEAMO OCC#Cc1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)s1 ZINC000020203103 212106142 /nfs/dbraw/zinc/10/61/42/212106142.db2.gz MXYGCKDNXIBMTQ-HSZRJFAPSA-N 1 1 398.547 3.719 50 30 GHEAMO OCC#Cc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)s1 ZINC000020203103 212106145 /nfs/dbraw/zinc/10/61/45/212106145.db2.gz MXYGCKDNXIBMTQ-HSZRJFAPSA-N 1 1 398.547 3.719 50 30 GHEAMO N#Cc1cccc(NC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000012860520 221239277 /nfs/dbraw/zinc/23/92/77/221239277.db2.gz CQMRTWRIHMLLFE-UHFFFAOYSA-N 1 1 377.444 3.670 50 30 GHEAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccc(C#CCCO)cc2)C1 ZINC000020202282 522956141 /nfs/dbraw/zinc/95/61/41/522956141.db2.gz IOLIRSBRSFIOTD-VWLOTQADSA-N 1 1 376.544 3.559 50 30 GHEAMO C=CCSc1nnc([C@@H]2CCC[N@H+](C/C=C/c3ccccc3OC)C2)n1C ZINC000299777703 570653191 /nfs/dbraw/zinc/65/31/91/570653191.db2.gz FBCLRDPPHFHLGY-RUJXFNLJSA-N 1 1 384.549 3.995 50 30 GHEAMO C=CCc1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(O)c(OC)c1 ZINC000012536531 570836375 /nfs/dbraw/zinc/83/63/75/570836375.db2.gz YGBKECBMWVTGOK-UHFFFAOYSA-N 1 1 382.504 3.598 50 30 GHEAMO