smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000329250484 942506782 /nfs/dbraw/zinc/50/67/82/942506782.db2.gz BAOIOWRXAPNRRJ-PKOBYXMFSA-N 1 1 359.518 3.648 50 30 FHEAMO N#Cc1nc(-c2ccc(F)cc2)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000054061433 205197888 /nfs/dbraw/zinc/19/78/88/205197888.db2.gz VXXCFFIKNWVKRJ-UHFFFAOYSA-N 1 1 362.408 3.675 50 30 FHEAMO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CCC(O)CC2)c1 ZINC000057265620 205237272 /nfs/dbraw/zinc/23/72/72/205237272.db2.gz NHPXHBXOHMTBRI-UHFFFAOYSA-N 1 1 350.462 3.873 50 30 FHEAMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nncn3Cc3ccccc3)C2)cc1 ZINC000065287802 205334174 /nfs/dbraw/zinc/33/41/74/205334174.db2.gz SASNVZIZIVSPEY-OAQYLSRUSA-N 1 1 357.461 3.578 50 30 FHEAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(-c2ccccc2C#N)nc1 ZINC000067562846 205374649 /nfs/dbraw/zinc/37/46/49/205374649.db2.gz RWSUYWAWRNFLPV-UHFFFAOYSA-N 1 1 373.460 3.760 50 30 FHEAMO C[N@H+](Cc1ccccc1)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12 ZINC000012864949 206296383 /nfs/dbraw/zinc/29/63/83/206296383.db2.gz QLVBIAQQOPHQOC-LCLYZWHDSA-N 1 1 369.505 3.645 50 30 FHEAMO C=CCc1ccccc1OCc1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000028233699 519146815 /nfs/dbraw/zinc/14/68/15/519146815.db2.gz UXJUVPUECJJGDK-GOSISDBHSA-N 1 1 366.461 3.507 50 30 FHEAMO CCOc1cccc(C=NN2CC[NH+](Cc3ccc(C)cc3C)CC2)c1O ZINC000244872960 521328352 /nfs/dbraw/zinc/32/83/52/521328352.db2.gz WHMDWKFOCQGEIW-UHFFFAOYSA-N 1 1 367.493 3.559 50 30 FHEAMO C[N@@H+](Cc1ccccc1NCC(=O)N[C@@](C)(C#N)C1CC1)C1CCCCC1 ZINC000021698880 570932787 /nfs/dbraw/zinc/93/27/87/570932787.db2.gz NUYYYXSSTOBHPJ-QFIPXVFZSA-N 1 1 368.525 3.671 50 30 FHEAMO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000072305037 571060123 /nfs/dbraw/zinc/06/01/23/571060123.db2.gz IJAXEOFHPVWMIY-QUCCMNQESA-N 1 1 356.466 3.533 50 30 FHEAMO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000072305037 571060125 /nfs/dbraw/zinc/06/01/25/571060125.db2.gz IJAXEOFHPVWMIY-QUCCMNQESA-N 1 1 356.466 3.533 50 30 FHEAMO N#Cc1ccccc1NC(=O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010139664 571122981 /nfs/dbraw/zinc/12/29/81/571122981.db2.gz USEHBPISOZBJQD-UHFFFAOYSA-N 1 1 358.445 3.858 50 30 FHEAMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(OC(F)F)cc1 ZINC000025221118 571141492 /nfs/dbraw/zinc/14/14/92/571141492.db2.gz MJNKXUONXMRRKW-UHFFFAOYSA-N 1 1 365.405 3.682 50 30 FHEAMO C=CCn1c(SCC[N@H+]2CC[C@H](C)C2)nnc1-c1ccccc1OC ZINC000075108805 571155830 /nfs/dbraw/zinc/15/58/30/571155830.db2.gz PXVSQGFKCFZMSK-HNNXBMFYSA-N 1 1 358.511 3.574 50 30 FHEAMO N#Cc1ccc(-c2ccc(C(=O)NC[C@H]3CC[N@H+](C4CCCC4)C3)cc2)cn1 ZINC000426477676 571322137 /nfs/dbraw/zinc/32/21/37/571322137.db2.gz DRESUKXCCIPZTF-QGZVFWFLSA-N 1 1 374.488 3.615 50 30 FHEAMO C[N@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2ccccc2C#N)C1 ZINC000095527816 571331265 /nfs/dbraw/zinc/33/12/65/571331265.db2.gz UUXNEWNWYLPKEQ-FQEVSTJZSA-N 1 1 361.489 3.585 50 30 FHEAMO Cc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1 ZINC000015729026 571347927 /nfs/dbraw/zinc/34/79/27/571347927.db2.gz PZYHMZPPKXCSNH-UHFFFAOYSA-N 1 1 370.884 3.504 50 30 FHEAMO Cc1cccc(C)c1NC(=S)N1CCC([N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000008680418 204339101 /nfs/dbraw/zinc/33/91/01/204339101.db2.gz VCIVOEOIZSGTSW-GOSISDBHSA-N 1 1 361.555 3.796 50 30 FHEAMO N#CCn1c(C[NH+]2CCCCCCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000009498079 204371084 /nfs/dbraw/zinc/37/10/84/204371084.db2.gz ZKVZCFHJMBGRSU-UHFFFAOYSA-N 1 1 370.522 3.626 50 30 FHEAMO COc1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)c1 ZINC000040033609 205049866 /nfs/dbraw/zinc/04/98/66/205049866.db2.gz XFPBIZKCLMAWDX-KRWDZBQOSA-N 1 1 355.463 3.794 50 30 FHEAMO COc1ccc(-c2nc(C#N)c(N3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000054061441 205197418 /nfs/dbraw/zinc/19/74/18/205197418.db2.gz PIEFHLKTSGJIBU-UHFFFAOYSA-N 1 1 374.444 3.544 50 30 FHEAMO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(C(=O)Nc2ccc(C#N)nc2)cc1 ZINC000065394227 205345130 /nfs/dbraw/zinc/34/51/30/205345130.db2.gz NWBRHRNDAMNFCQ-OAHLLOKOSA-N 1 1 360.417 3.992 50 30 FHEAMO COC[C@H]1CCC[N@H+]1Cc1cccc(C(=O)Nc2cccc(C)c2C#N)c1 ZINC000067842337 205396332 /nfs/dbraw/zinc/39/63/32/205396332.db2.gz ZFIZONJTSRVDKT-LJQANCHMSA-N 1 1 363.461 3.730 50 30 FHEAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCCC(C)(C)C4)[C@H]3[C@@H]3O[C@]312 ZINC000004027410 206163189 /nfs/dbraw/zinc/16/31/89/206163189.db2.gz AWARIKSVYAKVLG-VZMCSVCESA-N 1 1 361.526 3.634 50 30 biogenic FHEAMO COc1ccc(C(=[NH2+])NOC(=O)c2ccc3ccccc3c2)cc1OC ZINC000004725334 263336337 /nfs/dbraw/zinc/33/63/37/263336337.db2.gz MIZZLGQSTBZXKN-UHFFFAOYSA-N 1 1 350.374 3.544 50 30 FHEAMO C=CCOc1ccccc1C[NH+]1CCN(c2ccccc2OCC)CC1 ZINC000055292166 519071446 /nfs/dbraw/zinc/07/14/46/519071446.db2.gz XICNPQFVNPLVIZ-UHFFFAOYSA-N 1 1 352.478 3.972 50 30 FHEAMO N#CCCn1cc(C[N@H+](CCO)C2CCCCC2)c(-c2ccccc2)n1 ZINC000095430334 526468172 /nfs/dbraw/zinc/46/81/72/526468172.db2.gz FVMXKCLRLSBFGP-UHFFFAOYSA-N 1 1 352.482 3.591 50 30 FHEAMO C[C@@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100220428 570501548 /nfs/dbraw/zinc/50/15/48/570501548.db2.gz LFGUOKSONBHVJF-ZBOAGNCASA-N 1 1 370.365 3.745 50 30 FHEAMO CC(C)[C@@H]1CN(c2cccc(C#N)n2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071752411 570511691 /nfs/dbraw/zinc/51/16/91/570511691.db2.gz BFMVJFKKEPBNHM-FQEVSTJZSA-N 1 1 352.457 3.829 50 30 FHEAMO COc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2C#N)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072137419 570525890 /nfs/dbraw/zinc/52/58/90/570525890.db2.gz XZAPZYKWGUDRDP-GMKZXUHWSA-N 1 1 373.500 3.629 50 30 FHEAMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000023220073 570959618 /nfs/dbraw/zinc/95/96/18/570959618.db2.gz BKZHKCXQEHTTQR-SUMWQHHRSA-N 1 1 355.404 3.580 50 30 FHEAMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000023220073 570959614 /nfs/dbraw/zinc/95/96/14/570959614.db2.gz BKZHKCXQEHTTQR-SUMWQHHRSA-N 1 1 355.404 3.580 50 30 FHEAMO C/C(=N\N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000033336121 571064317 /nfs/dbraw/zinc/06/43/17/571064317.db2.gz HZYPLSBPUQVTDH-LTGZKZEYSA-N 1 1 372.310 3.991 50 30 FHEAMO CC1(C)CCC[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)C1 ZINC000040288637 571093765 /nfs/dbraw/zinc/09/37/65/571093765.db2.gz FNZNQMPYMHYTSI-UXTOGGPVSA-N 1 1 361.526 3.635 50 30 FHEAMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000009834312 571119668 /nfs/dbraw/zinc/11/96/68/571119668.db2.gz SETORQVIJKPDKP-GASCZTMLSA-N 1 1 368.481 3.534 50 30 FHEAMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCCC[C@H]2C)c1C#N ZINC000012527948 571174573 /nfs/dbraw/zinc/17/45/73/571174573.db2.gz OPUSPRVAFINKQH-CQSZACIVSA-N 1 1 368.456 3.918 50 30 FHEAMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCCC[C@H]2C)c1C#N ZINC000012527948 571174574 /nfs/dbraw/zinc/17/45/74/571174574.db2.gz OPUSPRVAFINKQH-CQSZACIVSA-N 1 1 368.456 3.918 50 30 FHEAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)NCCSCc1ccccc1C#N ZINC000016695769 571212619 /nfs/dbraw/zinc/21/26/19/571212619.db2.gz OIKFOAZJRDTISB-KRWDZBQOSA-N 1 1 367.518 3.601 50 30 FHEAMO Brc1cccc(C=NN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000001739382 571307827 /nfs/dbraw/zinc/30/78/27/571307827.db2.gz RMVJSHOIENRKIK-UHFFFAOYSA-N 1 1 358.283 3.601 50 30 FHEAMO C/C(=N/N1CC[NH+](Cc2ccc(C)cc2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000027527940 571311596 /nfs/dbraw/zinc/31/15/96/571311596.db2.gz XDVMVYKBMKKFQU-PYCFMQQDSA-N 1 1 366.465 3.753 50 30 FHEAMO N#Cc1ccc(-c2cccc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)c2)cc1Cl ZINC000426690666 571322277 /nfs/dbraw/zinc/32/22/77/571322277.db2.gz MPOVBCOLOAJPQP-LJQANCHMSA-N 1 1 365.864 3.799 50 30 FHEAMO COCC(C)(C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1 ZINC000095463848 571330321 /nfs/dbraw/zinc/33/03/21/571330321.db2.gz KXTYQFOANFOPGF-UHFFFAOYSA-N 1 1 371.525 3.598 50 30 FHEAMO C=CCOc1ccc(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000095995143 571333640 /nfs/dbraw/zinc/33/36/40/571333640.db2.gz LDGFGKDMEWVHOP-WIYYLYMNSA-N 1 1 364.489 3.892 50 30 FHEAMO C=CC[N@@H+]1CC[C@@H](Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)C1 ZINC000670451420 571352539 /nfs/dbraw/zinc/35/25/39/571352539.db2.gz SBOZMPIUMZQVKE-CQSZACIVSA-N 1 1 369.465 3.772 50 30 FHEAMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc(C#N)cc1 ZINC000059287178 571356608 /nfs/dbraw/zinc/35/66/08/571356608.db2.gz MMOUPOYEHUZLEN-OAQYLSRUSA-N 1 1 361.489 3.761 50 30 FHEAMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cc(C4CC4)[nH]n3)cc2)C[C@H](C)O1 ZINC000328930906 942226325 /nfs/dbraw/zinc/22/63/25/942226325.db2.gz HQPAOENSHJDXNX-KBPBESRZSA-N 1 1 354.454 3.533 50 30 FHEAMO Cc1n(C(F)F)c2ccccc2[n+]1CC(=O)c1ccc(O)cc1Cl ZINC000002597962 204045772 /nfs/dbraw/zinc/04/57/72/204045772.db2.gz KRVLTSGNCJHNCY-UHFFFAOYSA-O 1 1 351.760 3.874 50 30 FHEAMO [NH2+]=C(NOC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000005090925 204191283 /nfs/dbraw/zinc/19/12/83/204191283.db2.gz NCQHZQANYWIBKA-UHFFFAOYSA-N 1 1 353.603 3.580 50 30 FHEAMO Cc1ccc(C)c(NC(=S)N2CCC([N@@H+](C)C[C@H]3CCCO3)CC2)c1 ZINC000008753379 204343732 /nfs/dbraw/zinc/34/37/32/204343732.db2.gz CPABGGWIKPVTAR-GOSISDBHSA-N 1 1 361.555 3.796 50 30 FHEAMO N#Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000062580329 205291659 /nfs/dbraw/zinc/29/16/59/205291659.db2.gz ZKHRBEMKXVXXDD-LJQANCHMSA-N 1 1 373.378 3.951 50 30 FHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4C[C@H](C)C(=O)C[C@H]4C)[C@H]3C[C@@H]12 ZINC000061991161 221137774 /nfs/dbraw/zinc/13/77/74/221137774.db2.gz MIVSQBNBIGTKAZ-YENQFGAYSA-N 1 1 359.510 3.600 50 30 FHEAMO CCOc1ccc(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc1OCC ZINC000005013622 263337512 /nfs/dbraw/zinc/33/75/12/263337512.db2.gz YGBSJFWVMCXUNR-UHFFFAOYSA-N 1 1 362.813 3.615 50 30 FHEAMO Brc1ccccc1C=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000244659771 518224834 /nfs/dbraw/zinc/22/48/34/518224834.db2.gz HIKONUUVCMZDNT-UHFFFAOYSA-N 1 1 358.283 3.601 50 30 FHEAMO C=CCC[C@H](C[N@@H+](C)C1CCN(C)CC1)Oc1cc(C(C)C)nc(C)n1 ZINC000067757042 518720869 /nfs/dbraw/zinc/72/08/69/518720869.db2.gz OZLIGKUMIMZMKC-LJQANCHMSA-N 1 1 360.546 3.648 50 30 FHEAMO CCCCCCCCCCCc1[nH+]ccn1CCc1nc(N)nc(N)n1 ZINC000079409004 520018427 /nfs/dbraw/zinc/01/84/27/520018427.db2.gz QZDGTFKTHGKXEP-UHFFFAOYSA-N 1 1 359.522 3.549 50 30 FHEAMO COC(=O)c1cccc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c1C#N ZINC000089406958 522210460 /nfs/dbraw/zinc/21/04/60/522210460.db2.gz MWVYYPRGERPQKT-INIZCTEOSA-N 1 1 366.486 3.959 50 30 FHEAMO [NH2+]=C(NOC(=O)c1cccs1)c1cccc(CSc2ccccn2)c1 ZINC000004344782 526811268 /nfs/dbraw/zinc/81/12/68/526811268.db2.gz QGACYYOTWTYPQG-UHFFFAOYSA-N 1 1 369.471 3.913 50 30 FHEAMO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000072305035 571060249 /nfs/dbraw/zinc/06/02/49/571060249.db2.gz IJAXEOFHPVWMIY-ICSRJNTNSA-N 1 1 356.466 3.533 50 30 FHEAMO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000072305035 571060253 /nfs/dbraw/zinc/06/02/53/571060253.db2.gz IJAXEOFHPVWMIY-ICSRJNTNSA-N 1 1 356.466 3.533 50 30 FHEAMO Cn1cc(CN2CCC[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC000072454748 571319180 /nfs/dbraw/zinc/31/91/80/571319180.db2.gz SKESXAHCNOBXRW-QHCPKHFHSA-N 1 1 362.521 3.775 50 30 FHEAMO CCCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000028637124 571340276 /nfs/dbraw/zinc/34/02/76/571340276.db2.gz PBGGNXWMYSRFBC-UHFFFAOYSA-N 1 1 356.445 3.775 50 30 FHEAMO Cc1cnc(C2CCOCC2)n1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000257186287 942598978 /nfs/dbraw/zinc/59/89/78/942598978.db2.gz KGTPAMIMEITEEG-OAQYLSRUSA-N 1 1 364.493 3.794 50 30 FHEAMO [NH2+]=C(NOC(=O)c1ccc(Cl)s1)c1cccc(Br)c1 ZINC000008986202 204350509 /nfs/dbraw/zinc/35/05/09/204350509.db2.gz AZXPVXUMIQNTCS-UHFFFAOYSA-N 1 1 359.632 3.641 50 30 FHEAMO COc1ccccc1-c1nc(C#N)c(N2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000057315466 205236624 /nfs/dbraw/zinc/23/66/24/205236624.db2.gz WFRSWIJGHDRZRF-UHFFFAOYSA-N 1 1 374.444 3.544 50 30 FHEAMO C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc(-c4ccccn4)cc3)c12 ZINC000067758576 205389391 /nfs/dbraw/zinc/38/93/91/205389391.db2.gz BURNRLMNCHXMBD-OXJNMPFZSA-N 1 1 367.456 3.956 50 30 FHEAMO C[C@@H](Sc1ccc(Cl)cc1)C(=O)ONC(=[NH2+])c1ccc(F)cc1 ZINC000008986417 263358108 /nfs/dbraw/zinc/35/81/08/263358108.db2.gz AZFVUDNJYOJGNN-SNVBAGLBSA-N 1 1 352.818 3.823 50 30 FHEAMO C=CCC[C@H](O)C[N@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102341 518726245 /nfs/dbraw/zinc/72/62/45/518726245.db2.gz IGWPOEXSSPWYGS-IBGZPJMESA-N 1 1 369.461 3.753 50 30 FHEAMO C[N@@H+](CC#CCNC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000075165124 522416141 /nfs/dbraw/zinc/41/61/41/522416141.db2.gz BWRAVGQGRHWOCN-UHFFFAOYSA-N 1 1 361.272 3.859 50 30 FHEAMO COc1ccc(/C(C)=N\N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OC ZINC000019901670 523365399 /nfs/dbraw/zinc/36/53/99/523365399.db2.gz CLNVGGPDUKAMRT-NKFKGCMQSA-N 1 1 367.493 3.554 50 30 FHEAMO Cc1ccc(C[NH+]2CCN(/N=C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000019879176 524451750 /nfs/dbraw/zinc/45/17/50/524451750.db2.gz PXQDVFXXMVKPRB-MDWZQWPHSA-N 1 1 364.449 3.720 50 30 FHEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000005096340 570584572 /nfs/dbraw/zinc/58/45/72/570584572.db2.gz RUIWOCFOPMIHLV-QHCPKHFHSA-N 1 1 370.537 3.866 50 30 FHEAMO N#Cc1cccc(C(=O)N2CC[NH+](Cc3csc4ccccc34)CC2)c1 ZINC000032757091 570794459 /nfs/dbraw/zinc/79/44/59/570794459.db2.gz ZQNNPXZBMBPXFC-UHFFFAOYSA-N 1 1 361.470 3.731 50 30 FHEAMO CCn1nc(C)c(C[N@@H+](CC)Cc2ccc(C#CC(C)(C)O)cc2)c1C ZINC000055369955 571058988 /nfs/dbraw/zinc/05/89/88/571058988.db2.gz HIRJFHGDJKNZNF-UHFFFAOYSA-N 1 1 353.510 3.664 50 30 FHEAMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccccn1)CCC2 ZINC000072311931 571079310 /nfs/dbraw/zinc/07/93/10/571079310.db2.gz DKBNABOWUOTFQW-KRWDZBQOSA-N 1 1 366.490 3.669 50 30 FHEAMO C=CCc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c(O)c(OC)c1 ZINC000012976636 571118922 /nfs/dbraw/zinc/11/89/22/571118922.db2.gz JVSYDICSJFMMAS-UHFFFAOYSA-N 1 1 355.434 3.533 50 30 FHEAMO C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc(O)c4ccccc43)c12 ZINC000067921938 571321940 /nfs/dbraw/zinc/32/19/40/571321940.db2.gz FEYBZTRHEFIKBY-KPZWWZAWSA-N 1 1 356.429 3.753 50 30 FHEAMO CC[NH+]1CCN(c2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)CC1 ZINC000019820532 571327366 /nfs/dbraw/zinc/32/73/66/571327366.db2.gz DOJKIXKUXJNRGJ-UHFFFAOYSA-N 1 1 373.913 3.532 50 30 FHEAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000095363647 571328917 /nfs/dbraw/zinc/32/89/17/571328917.db2.gz ICXPWBCJBNWCDE-QFIPXVFZSA-N 1 1 373.500 3.900 50 30 FHEAMO CC[N@H+](Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000008130939 204318883 /nfs/dbraw/zinc/31/88/83/204318883.db2.gz MQYABUDAACPFIB-AWEZNQCLSA-N 1 1 355.413 3.555 50 30 FHEAMO CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000008130939 204318885 /nfs/dbraw/zinc/31/88/85/204318885.db2.gz MQYABUDAACPFIB-AWEZNQCLSA-N 1 1 355.413 3.555 50 30 FHEAMO COc1ccc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000036274439 205008311 /nfs/dbraw/zinc/00/83/11/205008311.db2.gz JACZQYQYJWAVTG-DLTPIXJPSA-N 1 1 363.461 3.852 50 30 FHEAMO COc1ccc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000036274439 205008312 /nfs/dbraw/zinc/00/83/12/205008312.db2.gz JACZQYQYJWAVTG-DLTPIXJPSA-N 1 1 363.461 3.852 50 30 FHEAMO CC(C)[N@H+]1C[C@H](O)[C@@H](n2cnc(-c3ccccc3)c2-c2cccc(C#N)c2)C1 ZINC000065369738 205340323 /nfs/dbraw/zinc/34/03/23/205340323.db2.gz UZPJMHMKXVNLSV-SFTDATJTSA-N 1 1 372.472 3.715 50 30 FHEAMO CC(C)CCC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC000067909472 205403850 /nfs/dbraw/zinc/40/38/50/205403850.db2.gz AMYDOFRRXDVPOQ-QFIPXVFZSA-N 1 1 353.510 3.809 50 30 FHEAMO C[N@H+](Cc1ccccc1)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21 ZINC000004073460 206166490 /nfs/dbraw/zinc/16/64/90/206166490.db2.gz QLVBIAQQOPHQOC-XPRTXTSQSA-N 1 1 369.505 3.645 50 30 biogenic FHEAMO C#CC[NH+]1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000012944354 533158799 /nfs/dbraw/zinc/15/87/99/533158799.db2.gz RMZUGBOESUQWPR-UHFFFAOYSA-N 1 1 368.893 3.767 50 30 FHEAMO Cc1ccc(-c2nc(-c3ccccc3)nc(N3CC[NH+](C)CC3)c2C#N)cc1 ZINC000003104899 132384750 /nfs/dbraw/zinc/38/47/50/132384750.db2.gz CBEREADEJCKPHF-UHFFFAOYSA-N 1 1 369.472 3.743 50 30 FHEAMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102339 518719217 /nfs/dbraw/zinc/71/92/17/518719217.db2.gz IGWPOEXSSPWYGS-LJQANCHMSA-N 1 1 369.461 3.753 50 30 FHEAMO COc1ccccc1[C@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072164927 570526359 /nfs/dbraw/zinc/52/63/59/570526359.db2.gz RORJCUQIMACIIZ-GMKZXUHWSA-N 1 1 373.500 3.629 50 30 FHEAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000055153332 571058019 /nfs/dbraw/zinc/05/80/19/571058019.db2.gz MGUVVMSWABHOJR-SFHVURJKSA-N 1 1 351.421 3.781 50 30 FHEAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000055153332 571058021 /nfs/dbraw/zinc/05/80/21/571058021.db2.gz MGUVVMSWABHOJR-SFHVURJKSA-N 1 1 351.421 3.781 50 30 FHEAMO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000072305036 571060095 /nfs/dbraw/zinc/06/00/95/571060095.db2.gz IJAXEOFHPVWMIY-AZUAARDMSA-N 1 1 356.466 3.533 50 30 FHEAMO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000072305036 571060096 /nfs/dbraw/zinc/06/00/96/571060096.db2.gz IJAXEOFHPVWMIY-AZUAARDMSA-N 1 1 356.466 3.533 50 30 FHEAMO Brc1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000019850233 571125794 /nfs/dbraw/zinc/12/57/94/571125794.db2.gz XPJACMKDJCDBAU-LDADJPATSA-N 1 1 364.312 3.662 50 30 FHEAMO COc1cccc2c1OCCC[N@H+](Cc1ccc(C#CC(C)(C)O)s1)C2 ZINC000215158561 571210864 /nfs/dbraw/zinc/21/08/64/571210864.db2.gz HKUXSXJCDVHHFE-UHFFFAOYSA-N 1 1 371.502 3.664 50 30 FHEAMO COc1cccc2c1OCCC[N@@H+](Cc1ccc(C#CC(C)(C)O)s1)C2 ZINC000215158561 571210867 /nfs/dbraw/zinc/21/08/67/571210867.db2.gz HKUXSXJCDVHHFE-UHFFFAOYSA-N 1 1 371.502 3.664 50 30 FHEAMO CO[C@]12CC[N@@H+](Cc3cccc(C#N)c3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426662322 571322203 /nfs/dbraw/zinc/32/22/03/571322203.db2.gz SLBLVKDYCGHCOR-RZUBCFFCSA-N 1 1 363.461 3.544 50 30 FHEAMO C[NH+](C)C=CC(=CC(=O)C(F)(F)F)Nc1ccc(Br)cc1 ZINC000012861243 571322811 /nfs/dbraw/zinc/32/28/11/571322811.db2.gz LMHOACYHMPGUKX-ANKZSMJWSA-N 1 1 363.177 3.952 50 30 FHEAMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc(C#N)cc1 ZINC000059287182 571356623 /nfs/dbraw/zinc/35/66/23/571356623.db2.gz MMOUPOYEHUZLEN-NRFANRHFSA-N 1 1 361.489 3.761 50 30 FHEAMO C=CCn1cc(CN(C)[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c(C)n1 ZINC000020327728 941881541 /nfs/dbraw/zinc/88/15/41/941881541.db2.gz FXVURVPTSZDFHB-QHCPKHFHSA-N 1 1 366.553 3.907 50 30 FHEAMO C[N@H+](Cc1ccccc1)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 ZINC000035361966 204243889 /nfs/dbraw/zinc/24/38/89/204243889.db2.gz QLVBIAQQOPHQOC-WFTGQSOZSA-N 1 1 369.505 3.645 50 30 FHEAMO C[NH+]=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000017123337 204650959 /nfs/dbraw/zinc/65/09/59/204650959.db2.gz YIIZNABWNNMZSN-HNNXBMFYSA-N 1 1 373.865 3.612 50 30 FHEAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000065397529 205346027 /nfs/dbraw/zinc/34/60/27/205346027.db2.gz JEHBVYGDBAMWCU-QGZVFWFLSA-N 1 1 350.466 3.651 50 30 FHEAMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000016623878 206319294 /nfs/dbraw/zinc/31/92/94/206319294.db2.gz CVSOXFGMPVUBEO-CQSZACIVSA-N 1 1 367.415 3.868 50 30 FHEAMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000016623878 206319297 /nfs/dbraw/zinc/31/92/97/206319297.db2.gz CVSOXFGMPVUBEO-CQSZACIVSA-N 1 1 367.415 3.868 50 30 FHEAMO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)ONC(=[NH2+])c1ccccc1 ZINC000005065671 263338722 /nfs/dbraw/zinc/33/87/22/263338722.db2.gz OQPVTIGUMOYIEY-JTQLQIEISA-N 1 1 353.205 3.624 50 30 FHEAMO C=C(C)COc1cccc(C[N@@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c1 ZINC000055107867 518619687 /nfs/dbraw/zinc/61/96/87/518619687.db2.gz SSAWOGYLHKUBDG-IBGZPJMESA-N 1 1 356.510 3.864 50 30 FHEAMO COC(=O)c1cccc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c1C#N ZINC000089406959 522212231 /nfs/dbraw/zinc/21/22/31/522212231.db2.gz MWVYYPRGERPQKT-MRXNPFEDSA-N 1 1 366.486 3.959 50 30 FHEAMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024668216 567891452 /nfs/dbraw/zinc/89/14/52/567891452.db2.gz FQQQUIKXVWDUPI-QGZVFWFLSA-N 1 1 374.444 3.908 50 30 FHEAMO CC(C)[C@H]1CN(c2cccc(C#N)n2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071752412 570511446 /nfs/dbraw/zinc/51/14/46/570511446.db2.gz BFMVJFKKEPBNHM-HXUWFJFHSA-N 1 1 352.457 3.829 50 30 FHEAMO C[C@@H]1/C(=N/O)C[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000013465898 570704071 /nfs/dbraw/zinc/70/40/71/570704071.db2.gz LFGUOKSONBHVJF-PQFGKWTMSA-N 1 1 370.365 3.745 50 30 FHEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3cccc(Br)c3)CC2)cc1 ZINC000019773049 570902876 /nfs/dbraw/zinc/90/28/76/570902876.db2.gz IIEOAQAMKHLNTE-STZFKDTASA-N 1 1 372.310 3.909 50 30 FHEAMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000015523877 571079722 /nfs/dbraw/zinc/07/97/22/571079722.db2.gz ACJJPHZDOBJVND-UHFFFAOYSA-N 1 1 360.383 3.684 50 30 FHEAMO C=CCn1c(SCC[N@H+]2CC[C@@H](C)C2)nnc1-c1ccccc1OC ZINC000075108802 571155889 /nfs/dbraw/zinc/15/58/89/571155889.db2.gz PXVSQGFKCFZMSK-OAHLLOKOSA-N 1 1 358.511 3.574 50 30 FHEAMO N#Cc1ccccc1C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422547 571186346 /nfs/dbraw/zinc/18/63/46/571186346.db2.gz GFFUCTRGFGZJHT-UHFFFAOYSA-N 1 1 360.383 3.684 50 30 FHEAMO N#Cc1ccccc1C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422547 571186347 /nfs/dbraw/zinc/18/63/47/571186347.db2.gz GFFUCTRGFGZJHT-UHFFFAOYSA-N 1 1 360.383 3.684 50 30 FHEAMO CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000026807961 571198442 /nfs/dbraw/zinc/19/84/42/571198442.db2.gz NFSHPOFMBFJDFL-CQSZACIVSA-N 1 1 350.871 3.535 50 30 FHEAMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000027389275 571289747 /nfs/dbraw/zinc/28/97/47/571289747.db2.gz VEPORTAAMJLBFK-UHFFFAOYSA-N 1 1 361.489 3.534 50 30 FHEAMO CCC1([C@@](O)(C#CC[N@@H+](CCO)C(C)(C)C)c2ccccc2)CCCC1 ZINC000002287398 571311751 /nfs/dbraw/zinc/31/17/51/571311751.db2.gz CJJYLXAXGQLGEN-HSZRJFAPSA-N 1 1 357.538 3.941 50 30 FHEAMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-c3cccc(C#N)c3)cc1)C2 ZINC000426518275 571322178 /nfs/dbraw/zinc/32/21/78/571322178.db2.gz ICGHPDLONUQNKA-HSZRJFAPSA-N 1 1 359.473 3.783 50 30 FHEAMO N#Cc1ccnc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)c1 ZINC000426700085 571322269 /nfs/dbraw/zinc/32/22/69/571322269.db2.gz RUXGCLYMOWVKHR-NRFANRHFSA-N 1 1 368.431 3.724 50 30 FHEAMO N#Cc1ccnc(N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)c1 ZINC000426700085 571322270 /nfs/dbraw/zinc/32/22/70/571322270.db2.gz RUXGCLYMOWVKHR-NRFANRHFSA-N 1 1 368.431 3.724 50 30 FHEAMO CC1=C2[C@H]3OC(=O)[C@H](C[N@H+]4CCCC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000012658108 571322576 /nfs/dbraw/zinc/32/25/76/571322576.db2.gz YVEXKOLTDDJUNU-BXYJTDFISA-N 1 1 357.494 3.522 50 30 FHEAMO C=CCCC(=O)N1CCC([N@H+]2CCC[C@@H]2COCc2ccccc2)CC1 ZINC000217595592 571349030 /nfs/dbraw/zinc/34/90/30/571349030.db2.gz KWEYIWQCPCRUCG-OAQYLSRUSA-N 1 1 356.510 3.625 50 30 FHEAMO Cc1cc(C)n(-c2ccc(N3CCC([N@H+]4CCC[C@H](C#N)C4)CC3)cc2)n1 ZINC000023543824 940639094 /nfs/dbraw/zinc/63/90/94/940639094.db2.gz LPBPLZCVWNTHNB-LJQANCHMSA-N 1 1 363.509 3.694 50 30 FHEAMO C=CCn1cc(CN(C)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c(C)n1 ZINC000020327721 941881659 /nfs/dbraw/zinc/88/16/59/941881659.db2.gz FXVURVPTSZDFHB-HSZRJFAPSA-N 1 1 366.553 3.907 50 30 FHEAMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000329250482 942507116 /nfs/dbraw/zinc/50/71/16/942507116.db2.gz BAOIOWRXAPNRRJ-HKUYNNGSSA-N 1 1 359.518 3.648 50 30 FHEAMO CC[NH+]1CCN(c2oc(C(c3ccccc3)c3ccccc3)nc2C#N)CC1 ZINC000027562274 204864017 /nfs/dbraw/zinc/86/40/17/204864017.db2.gz NYGNLLKWVXHKBE-UHFFFAOYSA-N 1 1 372.472 3.868 50 30 FHEAMO COc1ccc(OC[C@H](O)C[N@H+](CCC#N)CC(C)C)c(C(C)(C)C)c1 ZINC000007064362 206207015 /nfs/dbraw/zinc/20/70/15/206207015.db2.gz QJUXSCMRLRQLII-QGZVFWFLSA-N 1 1 362.514 3.604 50 30 FHEAMO COc1ccc(OC[C@H](O)C[N@@H+](CCC#N)CC(C)C)c(C(C)(C)C)c1 ZINC000007064362 206207018 /nfs/dbraw/zinc/20/70/18/206207018.db2.gz QJUXSCMRLRQLII-QGZVFWFLSA-N 1 1 362.514 3.604 50 30 FHEAMO COc1c2c(cc3c1[C@@H](C/C(=N/O)[C@H]1CC=C(C)CC1)[N@@H+](C)CC3)OCO2 ZINC000020411776 206331048 /nfs/dbraw/zinc/33/10/48/206331048.db2.gz LURJWDVAWXQBDF-ZBBYLCNOSA-N 1 1 372.465 3.920 50 30 FHEAMO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000003408591 519031722 /nfs/dbraw/zinc/03/17/22/519031722.db2.gz NZFATVJPWQHVFG-UHFFFAOYSA-N 1 1 350.462 3.811 50 30 FHEAMO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000003408591 519031726 /nfs/dbraw/zinc/03/17/26/519031726.db2.gz NZFATVJPWQHVFG-UHFFFAOYSA-N 1 1 350.462 3.811 50 30 FHEAMO C=CCOc1ccc(C[N@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000032759211 519032947 /nfs/dbraw/zinc/03/29/47/519032947.db2.gz NJKNLJKYQUVYBA-UHFFFAOYSA-N 1 1 369.852 3.545 50 30 FHEAMO C[N@@H+](CC#CCNC(=O)Cc1cccc2ccccc21)Cc1ccccc1 ZINC000075165138 522416202 /nfs/dbraw/zinc/41/62/02/522416202.db2.gz PHBXNRFSAOKSGZ-UHFFFAOYSA-N 1 1 356.469 3.634 50 30 FHEAMO COc1ccc(NC(=O)ONC(=[NH2+])c2ccc3c(c2)C=CC(C)(C)O3)cc1 ZINC000004362139 524581023 /nfs/dbraw/zinc/58/10/23/524581023.db2.gz VAAUIPSJAMBKBO-UHFFFAOYSA-N 1 1 367.405 3.748 50 30 FHEAMO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c(C)n1 ZINC000329413305 570612985 /nfs/dbraw/zinc/61/29/85/570612985.db2.gz DSKMAEVJWAWXAR-MOPGFXCFSA-N 1 1 374.435 3.900 50 30 FHEAMO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c(C)n1 ZINC000329413305 570612988 /nfs/dbraw/zinc/61/29/88/570612988.db2.gz DSKMAEVJWAWXAR-MOPGFXCFSA-N 1 1 374.435 3.900 50 30 FHEAMO Brc1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019879307 570905480 /nfs/dbraw/zinc/90/54/80/570905480.db2.gz RXTBFFWCGVIGEM-XSFVSMFZSA-N 1 1 358.283 3.601 50 30 FHEAMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000023220069 570959728 /nfs/dbraw/zinc/95/97/28/570959728.db2.gz BKZHKCXQEHTTQR-CXAGYDPISA-N 1 1 355.404 3.580 50 30 FHEAMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000023220069 570959724 /nfs/dbraw/zinc/95/97/24/570959724.db2.gz BKZHKCXQEHTTQR-CXAGYDPISA-N 1 1 355.404 3.580 50 30 FHEAMO C[C@@H]1/C(=N\O)C[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000138283803 571195072 /nfs/dbraw/zinc/19/50/72/571195072.db2.gz LFGUOKSONBHVJF-PVLCZGCNSA-N 1 1 370.365 3.745 50 30 FHEAMO C[N@@H+](CCC(=O)/C=C\c1cccc(F)c1)CCc1ccc2c(c1)OCO2 ZINC000215065365 571294666 /nfs/dbraw/zinc/29/46/66/571294666.db2.gz BGHZOGGANANMIC-ALCCZGGFSA-N 1 1 355.409 3.701 50 30 FHEAMO Cc1[nH+]ccn1CCN(C)C(=O)c1cccc(-c2nc(C)cc(C)c2C#N)c1 ZINC000426597244 571322155 /nfs/dbraw/zinc/32/21/55/571322155.db2.gz OVHNRFAZYBAPMW-UHFFFAOYSA-N 1 1 373.460 3.514 50 30 FHEAMO [NH2+]=C(NOC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000004936891 204178558 /nfs/dbraw/zinc/17/85/58/204178558.db2.gz XZGQGIQFLVUWGO-UHFFFAOYSA-N 1 1 353.603 3.580 50 30 FHEAMO Oc1c(Br)cccc1/C=N/C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004026311 206163655 /nfs/dbraw/zinc/16/36/55/206163655.db2.gz NICFMMXVUWIJMR-LOLXLMDRSA-N 1 1 351.288 3.838 50 30 biogenic FHEAMO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000006084338 206240766 /nfs/dbraw/zinc/24/07/66/206240766.db2.gz YXUBZXINQWIWLY-ZDUSSCGKSA-N 1 1 372.266 3.780 50 30 FHEAMO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000006084338 206240770 /nfs/dbraw/zinc/24/07/70/206240770.db2.gz YXUBZXINQWIWLY-ZDUSSCGKSA-N 1 1 372.266 3.780 50 30 FHEAMO COc1c2c(cc3c1[C@H](CC(=O)/C=C/c1ccccc1)[N@H+](C)CC3)OCO2 ZINC000020111760 206328688 /nfs/dbraw/zinc/32/86/88/206328688.db2.gz NFSAUYZGLBVYMW-BLGFXRMMSA-N 1 1 365.429 3.626 50 30 FHEAMO COc1c2c(cc3c1[C@H](CC(=O)/C=C/c1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000020111760 206328690 /nfs/dbraw/zinc/32/86/90/206328690.db2.gz NFSAUYZGLBVYMW-BLGFXRMMSA-N 1 1 365.429 3.626 50 30 FHEAMO Cc1cc(C)c(C#N)c(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)n1 ZINC000095513302 132213607 /nfs/dbraw/zinc/21/36/07/132213607.db2.gz LYPWQHXHQAJSIX-UHFFFAOYSA-N 1 1 372.476 3.594 50 30 FHEAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCCC(C)(C)C4)[C@H]3[C@H]3O[C@@]312 ZINC000004027411 263331257 /nfs/dbraw/zinc/33/12/57/263331257.db2.gz AWARIKSVYAKVLG-XETSRNHHSA-N 1 1 361.526 3.634 50 30 biogenic FHEAMO C=CCNC(=O)c1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000034668650 518938205 /nfs/dbraw/zinc/93/82/05/518938205.db2.gz CGGFDPJDYUNIPN-UHFFFAOYSA-N 1 1 369.896 3.578 50 30 FHEAMO C=CCOc1ccc(C[NH2+][C@H](C)c2cn3ncsc3n2)cc1CC=C ZINC000055119292 519036677 /nfs/dbraw/zinc/03/66/77/519036677.db2.gz HKDNIJXHXKXMMB-CQSZACIVSA-N 1 1 354.479 3.935 50 30 FHEAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000020947404 525413339 /nfs/dbraw/zinc/41/33/39/525413339.db2.gz XLTHZSZBJKZWES-OAQYLSRUSA-N 1 1 363.461 3.779 50 30 FHEAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000020947404 525413347 /nfs/dbraw/zinc/41/33/47/525413347.db2.gz XLTHZSZBJKZWES-OAQYLSRUSA-N 1 1 363.461 3.779 50 30 FHEAMO N#Cc1c(N)nc2c(c1-c1c(Cl)ccc(O)c1Cl)[C@H]1CC[C@@H](C2)[NH2+]1 ZINC000071775996 570512541 /nfs/dbraw/zinc/51/25/41/570512541.db2.gz FLYOGOIAWHZQPQ-OIBJUYFYSA-N 1 1 361.232 3.564 50 30 FHEAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3C#N)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072133619 570525744 /nfs/dbraw/zinc/52/57/44/570525744.db2.gz WSWGEUBYCNJCQH-RBZQAINGSA-N 1 1 373.500 3.629 50 30 FHEAMO COc1cccc([C@@H]2CN(Cc3ccccc3C#N)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072133619 570525749 /nfs/dbraw/zinc/52/57/49/570525749.db2.gz WSWGEUBYCNJCQH-RBZQAINGSA-N 1 1 373.500 3.629 50 30 FHEAMO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1ccc(C#CC(C)(C)O)s1 ZINC000055168945 571058205 /nfs/dbraw/zinc/05/82/05/571058205.db2.gz WQUZANRATFBZPD-MRXNPFEDSA-N 1 1 363.548 3.705 50 30 FHEAMO C=CC[C@@H]1CC=C[C@@H](C)[N@@H+]1Cc1ccc(C(=O)Nc2ccnn2C)cc1 ZINC000065508339 571074184 /nfs/dbraw/zinc/07/41/84/571074184.db2.gz MRCLWFOZEARHET-VQIMIIECSA-N 1 1 350.466 3.768 50 30 FHEAMO N#Cc1ccc(C(=O)N2CCC3(CCC([N@@H+]4CC=CCC4)CC3)CC2)cc1 ZINC000071278699 571112578 /nfs/dbraw/zinc/11/25/78/571112578.db2.gz LRASUSKOKSSWCL-UHFFFAOYSA-N 1 1 363.505 3.985 50 30 FHEAMO CCc1ccc(C[N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000096524742 571140916 /nfs/dbraw/zinc/14/09/16/571140916.db2.gz WLJPKRXNRHGDRO-LJQANCHMSA-N 1 1 370.456 3.918 50 30 FHEAMO CC(C)c1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000029226063 571342212 /nfs/dbraw/zinc/34/22/12/571342212.db2.gz VMOMEHKRFQRYEB-UHFFFAOYSA-N 1 1 350.466 3.869 50 30 FHEAMO C=CC[N@@H+]1CC[C@H](Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)C1 ZINC000670451419 571352484 /nfs/dbraw/zinc/35/24/84/571352484.db2.gz SBOZMPIUMZQVKE-AWEZNQCLSA-N 1 1 369.465 3.772 50 30 FHEAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000007737649 207205265 /nfs/dbraw/zinc/20/52/65/207205265.db2.gz COGWCCASROJGHG-KRWDZBQOSA-N 1 1 365.502 3.924 50 30 FHEAMO N#Cc1c(NC(=O)CC[N@H+]2CCc3sccc3C2)sc2c1CCCC2 ZINC000010341602 207298873 /nfs/dbraw/zinc/29/88/73/207298873.db2.gz RPSPQHQKDJIPQY-UHFFFAOYSA-N 1 1 371.531 3.947 50 30 FHEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccccc3Br)CC2)cc1 ZINC000021486459 207773329 /nfs/dbraw/zinc/77/33/29/207773329.db2.gz HCZAMBDCBMKJSM-KGENOOAVSA-N 1 1 372.310 3.909 50 30 FHEAMO N#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CCCc2ccccc2)C3)c1 ZINC000092038149 209013115 /nfs/dbraw/zinc/01/31/15/209013115.db2.gz NMHUPALJHXSHQM-JTHBVZDNSA-N 1 1 373.500 3.727 50 30 FHEAMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000032759215 519031493 /nfs/dbraw/zinc/03/14/93/519031493.db2.gz YIFKSLHYRGQXLM-AWEZNQCLSA-N 1 1 359.857 3.759 50 30 FHEAMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000032759215 519031496 /nfs/dbraw/zinc/03/14/96/519031496.db2.gz YIFKSLHYRGQXLM-AWEZNQCLSA-N 1 1 359.857 3.759 50 30 FHEAMO C=CCn1ncc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)cc3C)C2)c1C ZINC000071774420 571052688 /nfs/dbraw/zinc/05/26/88/571052688.db2.gz NHYLGPHUZDEQJX-SFHVURJKSA-N 1 1 367.493 3.789 50 30 FHEAMO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccccc1Br ZINC000012750356 571075559 /nfs/dbraw/zinc/07/55/59/571075559.db2.gz RHVTYGYYOOPVTA-JTQLQIEISA-N 1 1 364.268 3.672 50 30 FHEAMO N#Cc1nc(-c2cccs2)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000054061436 571198760 /nfs/dbraw/zinc/19/87/60/571198760.db2.gz DKOVEXNOIZABKV-UHFFFAOYSA-N 1 1 350.447 3.597 50 30 FHEAMO N#Cc1ccc(NC(=O)NCC[C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000299771613 571318834 /nfs/dbraw/zinc/31/88/34/571318834.db2.gz RNNMMDXARFUDTC-HXUWFJFHSA-N 1 1 363.465 3.520 50 30 FHEAMO N#Cc1ccc(NC(=O)N2C[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000299785551 571318883 /nfs/dbraw/zinc/31/88/83/571318883.db2.gz JZVPZYYVABBLSY-CTNGQTDRSA-N 1 1 360.461 3.687 50 30 FHEAMO Cc1ccc(C#N)c(NCc2cc3n(n2)CCC[N@H+](C2CCCCC2)C3)n1 ZINC000082108162 571322703 /nfs/dbraw/zinc/32/27/03/571322703.db2.gz BQMQEQUXRPEAHS-UHFFFAOYSA-N 1 1 364.497 3.609 50 30 FHEAMO COc1cccc(-c2c(C#N)c(N)nc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000019014895 571323362 /nfs/dbraw/zinc/32/33/62/571323362.db2.gz JKWAODYEHUDNSQ-UHFFFAOYSA-N 1 1 370.456 3.769 50 30 FHEAMO C[C@@H]1/C(=N/O)C[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000013465902 209880104 /nfs/dbraw/zinc/88/01/04/209880104.db2.gz LFGUOKSONBHVJF-WCUNLMCJSA-N 1 1 370.365 3.745 50 30 FHEAMO C[NH+]=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000101079433 209219910 /nfs/dbraw/zinc/21/99/10/209219910.db2.gz YIIZNABWNNMZSN-OAHLLOKOSA-N 1 1 373.865 3.612 50 30 FHEAMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)cc1 ZINC000008777084 207249508 /nfs/dbraw/zinc/24/95/08/207249508.db2.gz SREVLTHLNQGCKA-KRWDZBQOSA-N 1 1 355.463 3.794 50 30 FHEAMO Cc1cc(C)c(C#N)c(N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)n1 ZINC000091381030 132201486 /nfs/dbraw/zinc/20/14/86/132201486.db2.gz IUASSVJBFWWIJG-UHFFFAOYSA-N 1 1 372.476 3.594 50 30 FHEAMO C=CCOc1c(Br)cc(C[NH2+]Cc2ccccn2)cc1OC ZINC000006701111 263346493 /nfs/dbraw/zinc/34/64/93/263346493.db2.gz QKKPTDBAEPBUJX-UHFFFAOYSA-N 1 1 363.255 3.707 50 30 FHEAMO C=CCOc1ccc(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000095995144 263430347 /nfs/dbraw/zinc/43/03/47/263430347.db2.gz LDGFGKDMEWVHOP-RXVVDRJESA-N 1 1 364.489 3.892 50 30 FHEAMO C=CCc1cc(Cl)ccc1OCCOCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020167756 519131750 /nfs/dbraw/zinc/13/17/50/519131750.db2.gz YGSMKKXXHUIXGQ-HZPDHXFCSA-N 1 1 353.890 3.573 50 30 FHEAMO C=CCc1cc(OC)ccc1OCCOCC[N@H+]1CCc2ccccc2C1 ZINC000002844254 519132704 /nfs/dbraw/zinc/13/27/04/519132704.db2.gz IXSHTJUAGYJLHH-UHFFFAOYSA-N 1 1 367.489 3.877 50 30 FHEAMO C=CCc1cc(Cl)ccc1OCCOCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020167761 519132897 /nfs/dbraw/zinc/13/28/97/519132897.db2.gz YGSMKKXXHUIXGQ-HOTGVXAUSA-N 1 1 353.890 3.573 50 30 FHEAMO CCOc1ccccc1/C=N/N1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC000020171905 521448887 /nfs/dbraw/zinc/44/88/87/521448887.db2.gz URTWBKXLPPUMHF-XQNSMLJCSA-N 1 1 351.494 3.854 50 30 FHEAMO COc1ccccc1C(=O)ONC(=[NH2+])Cc1ccc(Cl)cc1Cl ZINC000004905754 524360272 /nfs/dbraw/zinc/36/02/72/524360272.db2.gz MGGBGHPSRGHWGB-UHFFFAOYSA-N 1 1 353.205 3.674 50 30 FHEAMO N#Cc1ccccc1-c1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000014197020 570518696 /nfs/dbraw/zinc/51/86/96/570518696.db2.gz RTWPNRBWHXVGFH-HSZRJFAPSA-N 1 1 367.452 3.637 50 30 FHEAMO N#Cc1ccccc1-c1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000014197020 570518699 /nfs/dbraw/zinc/51/86/99/570518699.db2.gz RTWPNRBWHXVGFH-HSZRJFAPSA-N 1 1 367.452 3.637 50 30 FHEAMO C[N@@H+](Cc1ccccc1NCC(=O)N[C@](C)(C#N)C1CC1)C1CCCCC1 ZINC000021698884 570932833 /nfs/dbraw/zinc/93/28/33/570932833.db2.gz NUYYYXSSTOBHPJ-JOCHJYFZSA-N 1 1 368.525 3.671 50 30 FHEAMO C=CCc1cc(OC)cc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c1O ZINC000014183989 571120979 /nfs/dbraw/zinc/12/09/79/571120979.db2.gz BRAWHRXUSLKRRE-UHFFFAOYSA-N 1 1 369.461 3.705 50 30 FHEAMO CCOC(=O)C1(Cc2ccccc2)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000015066578 571121520 /nfs/dbraw/zinc/12/15/20/571121520.db2.gz NGLYHUIPORQOON-UHFFFAOYSA-N 1 1 361.485 3.926 50 30 FHEAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(C#N)CC2)cc1 ZINC000057993100 571123845 /nfs/dbraw/zinc/12/38/45/571123845.db2.gz NLQVPRJQLCSIHJ-QGZVFWFLSA-N 1 1 354.498 3.506 50 30 FHEAMO N#Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000054122314 571201822 /nfs/dbraw/zinc/20/18/22/571201822.db2.gz LEHOIEIIWZCUHU-UHFFFAOYSA-N 1 1 353.853 3.560 50 30 FHEAMO N#Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000054122314 571201826 /nfs/dbraw/zinc/20/18/26/571201826.db2.gz LEHOIEIIWZCUHU-UHFFFAOYSA-N 1 1 353.853 3.560 50 30 FHEAMO NC(=[NH+]Nc1ccc(Br)cc1Br)c1ccccc1 ZINC000006664416 571240174 /nfs/dbraw/zinc/24/01/74/571240174.db2.gz DRRAXKUXNODSPE-UHFFFAOYSA-N 1 1 369.060 3.944 50 30 FHEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104226 571242189 /nfs/dbraw/zinc/24/21/89/571242189.db2.gz JYXGEQSAPYXAGG-LJQANCHMSA-N 1 1 365.395 3.670 50 30 FHEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104226 571242191 /nfs/dbraw/zinc/24/21/91/571242191.db2.gz JYXGEQSAPYXAGG-LJQANCHMSA-N 1 1 365.395 3.670 50 30 FHEAMO C=CCn1c(C)cc(C(=O)Cn2c(C)[nH+]c3cc4c(cc32)OCCO4)c1C ZINC000006831506 571249385 /nfs/dbraw/zinc/24/93/85/571249385.db2.gz BATXVBSTGVCPSP-UHFFFAOYSA-N 1 1 365.433 3.603 50 30 FHEAMO N#Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CC[N@H+](C4CCCC4)C3)cc2)cn1 ZINC000426477675 571322100 /nfs/dbraw/zinc/32/21/00/571322100.db2.gz DRESUKXCCIPZTF-KRWDZBQOSA-N 1 1 374.488 3.615 50 30 FHEAMO C=CCn1c(C)cc(C(=O)COC(=O)C(C)(C)[N@@H+](C)C2CCCC2)c1C ZINC000095995834 571333597 /nfs/dbraw/zinc/33/35/97/571333597.db2.gz KFSBRGFYBDQNNP-UHFFFAOYSA-N 1 1 360.498 3.670 50 30 FHEAMO CC1(C)CCC[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)C1 ZINC000004028600 571354215 /nfs/dbraw/zinc/35/42/15/571354215.db2.gz FNZNQMPYMHYTSI-MEILYROSSA-N 1 1 361.526 3.635 50 30 biogenic FHEAMO Cn1cc(CN2CCC[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC000102663465 209239442 /nfs/dbraw/zinc/23/94/42/209239442.db2.gz SKESXAHCNOBXRW-HSZRJFAPSA-N 1 1 362.521 3.775 50 30 FHEAMO CC[N@H+](Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000008130941 207221023 /nfs/dbraw/zinc/22/10/23/207221023.db2.gz MQYABUDAACPFIB-CQSZACIVSA-N 1 1 355.413 3.555 50 30 FHEAMO CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000008130941 207221028 /nfs/dbraw/zinc/22/10/28/207221028.db2.gz MQYABUDAACPFIB-CQSZACIVSA-N 1 1 355.413 3.555 50 30 FHEAMO COc1ccc([C@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)cc1OC ZINC000040067032 208220756 /nfs/dbraw/zinc/22/07/56/208220756.db2.gz BKDXHBMFCZBTIJ-LJQANCHMSA-N 1 1 352.434 3.791 50 30 FHEAMO N#Cc1ccc(CN2CCC[N@@H+](CCCc3ccccc3)CC2)c(F)c1 ZINC000095347315 209022062 /nfs/dbraw/zinc/02/20/62/209022062.db2.gz PEJRHGXBNDWSTE-UHFFFAOYSA-N 1 1 351.469 3.838 50 30 FHEAMO Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)n1 ZINC000095520054 132213771 /nfs/dbraw/zinc/21/37/71/132213771.db2.gz ZIRDDRLQNUMUJS-LJQANCHMSA-N 1 1 372.476 3.594 50 30 FHEAMO C(=N/N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)\c1cccnc1 ZINC000019771352 263376482 /nfs/dbraw/zinc/37/64/82/263376482.db2.gz SJQPACGPLUYNPU-NCELDCMTSA-N 1 1 356.473 3.823 50 30 FHEAMO Brc1ccc(C=NN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000239203191 518211393 /nfs/dbraw/zinc/21/13/93/518211393.db2.gz RXTBFFWCGVIGEM-UHFFFAOYSA-N 1 1 358.283 3.601 50 30 FHEAMO C=CC[N@H+](C)CCN(CC)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000253431978 518742922 /nfs/dbraw/zinc/74/29/22/518742922.db2.gz VVEZYLAFPXWBKK-UHFFFAOYSA-N 1 1 360.527 3.617 50 30 FHEAMO C=CCNC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711389 518931066 /nfs/dbraw/zinc/93/10/66/518931066.db2.gz HNEMPCSVYQAONU-MOPGFXCFSA-N 1 1 370.443 3.873 50 30 FHEAMO CC1(C)CC(NCc2cn(CCC#N)nc2-c2ccccc2)CC(C)(C)[NH2+]1 ZINC000023718774 520287792 /nfs/dbraw/zinc/28/77/92/520287792.db2.gz BIGAQNFSZSAZIW-UHFFFAOYSA-N 1 1 365.525 3.863 50 30 FHEAMO COC(C)(C)CCC[C@@](C)(O)C#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000248291452 522474658 /nfs/dbraw/zinc/47/46/58/522474658.db2.gz UBZDIWVELVGWPC-RBBKRZOGSA-N 1 1 358.526 3.958 50 30 FHEAMO COC(C)(C)CCC[C@@](C)(O)C#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000248291452 522474666 /nfs/dbraw/zinc/47/46/66/522474666.db2.gz UBZDIWVELVGWPC-RBBKRZOGSA-N 1 1 358.526 3.958 50 30 FHEAMO O=C(Cc1cccc2ccccc21)NCC#CC[N@@H+]1CCc2ccccc2C1 ZINC000070641616 527273670 /nfs/dbraw/zinc/27/36/70/527273670.db2.gz FBQUVHMWHJNLLC-UHFFFAOYSA-N 1 1 368.480 3.560 50 30 FHEAMO O=C(Cc1cccc2ccccc21)NCC#CC[N@H+]1CCc2ccccc2C1 ZINC000070641616 527273675 /nfs/dbraw/zinc/27/36/75/527273675.db2.gz FBQUVHMWHJNLLC-UHFFFAOYSA-N 1 1 368.480 3.560 50 30 FHEAMO N#CC1(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000329502120 570617383 /nfs/dbraw/zinc/61/73/83/570617383.db2.gz WBVLHPZPOUDIIF-ZDUSSCGKSA-N 1 1 368.264 3.849 50 30 FHEAMO N#CC1(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000329502120 570617386 /nfs/dbraw/zinc/61/73/86/570617386.db2.gz WBVLHPZPOUDIIF-ZDUSSCGKSA-N 1 1 368.264 3.849 50 30 FHEAMO Cc1ccccc1C(=[NH2+])NOC(=O)COc1ccc(Cl)cc1Cl ZINC000005041980 570619166 /nfs/dbraw/zinc/61/91/66/570619166.db2.gz IHRPNISJXDZJIK-UHFFFAOYSA-N 1 1 353.205 3.544 50 30 FHEAMO C=CCCC(=O)N1CCC(Oc2cc(C[N@@H+](C)C(C)C)ccc2OC)CC1 ZINC000012219021 570892390 /nfs/dbraw/zinc/89/23/90/570892390.db2.gz LBHPILWQNGVBTD-UHFFFAOYSA-N 1 1 374.525 3.871 50 30 FHEAMO CCc1cc(N2CC[C@H](C[N@H+](C)CC)C2)n2c3ccccc3nc2c1C#N ZINC000072302147 571055489 /nfs/dbraw/zinc/05/54/89/571055489.db2.gz NDCZZNLIWIWJPJ-MRXNPFEDSA-N 1 1 361.493 3.700 50 30 FHEAMO CCC[N@H+](CC#Cc1ccccc1)Cc1ccc(Sc2nncn2C)o1 ZINC000055253171 571058749 /nfs/dbraw/zinc/05/87/49/571058749.db2.gz XIVWTVDQPLLYHE-UHFFFAOYSA-N 1 1 366.490 3.823 50 30 FHEAMO CCC[N@@H+](CC#Cc1ccccc1)Cc1ccc(Sc2nncn2C)o1 ZINC000055253171 571058751 /nfs/dbraw/zinc/05/87/51/571058751.db2.gz XIVWTVDQPLLYHE-UHFFFAOYSA-N 1 1 366.490 3.823 50 30 FHEAMO COc1c2c(cc3c1[C@H](C(=S)Nc1ccccc1C)[N@H+](C)CC3)OCO2 ZINC000006238000 571167672 /nfs/dbraw/zinc/16/76/72/571167672.db2.gz YHVVMWZFOQHJRK-QGZVFWFLSA-N 1 1 370.474 3.921 50 30 biogenic FHEAMO COc1c2c(cc3c1[C@H](C(=S)Nc1ccccc1C)[N@@H+](C)CC3)OCO2 ZINC000006238000 571167673 /nfs/dbraw/zinc/16/76/73/571167673.db2.gz YHVVMWZFOQHJRK-QGZVFWFLSA-N 1 1 370.474 3.921 50 30 biogenic FHEAMO N#Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)c1 ZINC000091326965 571318795 /nfs/dbraw/zinc/31/87/95/571318795.db2.gz GMMKRTZMACZRMG-QFIPXVFZSA-N 1 1 351.494 3.705 50 30 FHEAMO C=CCOc1ccc(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000095995145 571333614 /nfs/dbraw/zinc/33/36/14/571333614.db2.gz LDGFGKDMEWVHOP-NQIIRXRSSA-N 1 1 364.489 3.892 50 30 FHEAMO O=C(C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)Nc1ccc(Cl)cn1 ZINC000329078924 942240941 /nfs/dbraw/zinc/24/09/41/942240941.db2.gz QQKFKAMBQNOYIB-KURKYZTESA-N 1 1 371.868 3.828 50 30 FHEAMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000097491927 209182674 /nfs/dbraw/zinc/18/26/74/209182674.db2.gz WQLHMHGAEYKJJY-GOSISDBHSA-N 1 1 371.843 3.996 50 30 FHEAMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000097491927 209182677 /nfs/dbraw/zinc/18/26/77/209182677.db2.gz WQLHMHGAEYKJJY-GOSISDBHSA-N 1 1 371.843 3.996 50 30 FHEAMO C=C(C)C[NH+]1CCN(c2c(C)c(C)nc3c(-c4ccccc4)cnn32)CC1 ZINC000005269604 132306093 /nfs/dbraw/zinc/30/60/93/132306093.db2.gz UZQFCLUECBZTPP-UHFFFAOYSA-N 1 1 361.493 3.711 50 30 FHEAMO C[C@H](Sc1ccc(Cl)cc1)C(=O)ONC(=[NH2+])c1ccc(F)cc1 ZINC000008986414 263358192 /nfs/dbraw/zinc/35/81/92/263358192.db2.gz AZFVUDNJYOJGNN-JTQLQIEISA-N 1 1 352.818 3.823 50 30 FHEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102581 518719357 /nfs/dbraw/zinc/71/93/57/518719357.db2.gz YUVIDFOUBOQWDF-LJQANCHMSA-N 1 1 357.425 3.884 50 30 FHEAMO C=CCOc1ccc(C[N@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000008037615 519031505 /nfs/dbraw/zinc/03/15/05/519031505.db2.gz MISAWFJRHFPBOY-UHFFFAOYSA-N 1 1 368.521 3.768 50 30 FHEAMO C=CCOc1ccc(C[N@@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000008037615 519031508 /nfs/dbraw/zinc/03/15/08/519031508.db2.gz MISAWFJRHFPBOY-UHFFFAOYSA-N 1 1 368.521 3.768 50 30 FHEAMO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000008037654 519032756 /nfs/dbraw/zinc/03/27/56/519032756.db2.gz YGFKOAFVHGWXIF-UHFFFAOYSA-N 1 1 369.852 3.847 50 30 FHEAMO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000008037654 519032762 /nfs/dbraw/zinc/03/27/62/519032762.db2.gz YGFKOAFVHGWXIF-UHFFFAOYSA-N 1 1 369.852 3.847 50 30 FHEAMO C=CCSc1nnc([C@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)n1C ZINC000020271238 519089908 /nfs/dbraw/zinc/08/99/08/519089908.db2.gz LBUPVWHKPAHXPX-DBEXCURXSA-N 1 1 354.523 3.986 50 30 FHEAMO C=CCc1ccccc1OCC[N@H+](C)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055357707 519142487 /nfs/dbraw/zinc/14/24/87/519142487.db2.gz GPWWOFXAMJDZBC-UHFFFAOYSA-N 1 1 366.436 3.907 50 30 FHEAMO CCCOc1ccc(C(=O)ONC(=[NH2+])c2ccc(C(F)(F)F)cc2)cc1 ZINC000003913262 520337989 /nfs/dbraw/zinc/33/79/89/520337989.db2.gz NTXCRSMGZROVNL-UHFFFAOYSA-N 1 1 366.339 3.972 50 30 FHEAMO COc1c2c(cc3c1[C@@H](CC(=NO)c1ccc(C)cc1)[N@H+](C)CC3)OCO2 ZINC000252679463 521886423 /nfs/dbraw/zinc/88/64/23/521886423.db2.gz MVDDOMAAIMLAQN-QGZVFWFLSA-N 1 1 368.433 3.530 50 30 FHEAMO COc1c2c(cc3c1[C@@H](CC(=NO)c1ccc(C)cc1)[N@@H+](C)CC3)OCO2 ZINC000252679463 521886433 /nfs/dbraw/zinc/88/64/33/521886433.db2.gz MVDDOMAAIMLAQN-QGZVFWFLSA-N 1 1 368.433 3.530 50 30 FHEAMO COCC[N@@H+](Cc1ccc(C#CC(C)(C)O)s1)Cc1ccc(C)cc1 ZINC000055089098 523742653 /nfs/dbraw/zinc/74/26/53/523742653.db2.gz HSMMGETYLNVWOD-UHFFFAOYSA-N 1 1 357.519 3.828 50 30 FHEAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000020947400 525251278 /nfs/dbraw/zinc/25/12/78/525251278.db2.gz XLTHZSZBJKZWES-NRFANRHFSA-N 1 1 363.461 3.779 50 30 FHEAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000020947400 525251286 /nfs/dbraw/zinc/25/12/86/525251286.db2.gz XLTHZSZBJKZWES-NRFANRHFSA-N 1 1 363.461 3.779 50 30 FHEAMO Cc1ccccc1OCC(=O)ONC(=[NH2+])Cc1ccc(Cl)cc1Cl ZINC000004889061 525280994 /nfs/dbraw/zinc/28/09/94/525280994.db2.gz RXSQVICCIWQTOF-UHFFFAOYSA-N 1 1 367.232 3.739 50 30 FHEAMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1cccs1)c1ccccc1F ZINC000020947915 526448018 /nfs/dbraw/zinc/44/80/18/526448018.db2.gz WPNDZFVLPSIQOZ-QGZVFWFLSA-N 1 1 357.454 3.971 50 30 FHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1cccs1)c1ccccc1F ZINC000020947915 526448024 /nfs/dbraw/zinc/44/80/24/526448024.db2.gz WPNDZFVLPSIQOZ-QGZVFWFLSA-N 1 1 357.454 3.971 50 30 FHEAMO CC(C)[C@@H]1CN(c2ccc(C#N)cn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071756974 570511635 /nfs/dbraw/zinc/51/16/35/570511635.db2.gz NMMJNXNSJJWUML-FQEVSTJZSA-N 1 1 352.457 3.829 50 30 FHEAMO COc1ccc([C@@H]2C[N@@H+](Cc3cccc(C#N)c3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071750724 570511663 /nfs/dbraw/zinc/51/16/63/570511663.db2.gz MZOICFZQTZAUFH-RBZQAINGSA-N 1 1 373.500 3.629 50 30 FHEAMO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3C#N)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071761393 570511891 /nfs/dbraw/zinc/51/18/91/570511891.db2.gz GGXJTTZLTLSCNA-RBZQAINGSA-N 1 1 373.500 3.629 50 30 FHEAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3C#N)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071761393 570511895 /nfs/dbraw/zinc/51/18/95/570511895.db2.gz GGXJTTZLTLSCNA-RBZQAINGSA-N 1 1 373.500 3.629 50 30 FHEAMO CCOc1ccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1 ZINC000019849400 570904985 /nfs/dbraw/zinc/90/49/85/570904985.db2.gz VLRHMUSQPRNDPO-XQNSMLJCSA-N 1 1 351.494 3.854 50 30 FHEAMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000048308619 570943122 /nfs/dbraw/zinc/94/31/22/570943122.db2.gz HAVNLCXNIXFXRF-CQSZACIVSA-N 1 1 351.855 3.852 50 30 FHEAMO CCOc1cc(C=NN2CC[NH+](Cc3ccc(C)cc3C)CC2)ccc1O ZINC000252320578 571075019 /nfs/dbraw/zinc/07/50/19/571075019.db2.gz AIRSOJITXLPOPG-UHFFFAOYSA-N 1 1 367.493 3.559 50 30 FHEAMO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccccc1Br ZINC000012750351 571075607 /nfs/dbraw/zinc/07/56/07/571075607.db2.gz RHVTYGYYOOPVTA-SNVBAGLBSA-N 1 1 364.268 3.672 50 30 FHEAMO COc1ccc(CCC[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000072312065 571079973 /nfs/dbraw/zinc/07/99/73/571079973.db2.gz MVKDGMWJIQFFIK-UHFFFAOYSA-N 1 1 371.506 3.748 50 30 FHEAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000065397528 571142887 /nfs/dbraw/zinc/14/28/87/571142887.db2.gz JEHBVYGDBAMWCU-KRWDZBQOSA-N 1 1 350.466 3.651 50 30 FHEAMO Cc1cc(N2CCCC2)ccc1C=[NH+]NC(=S)NCc1ccccc1 ZINC000252605339 571284867 /nfs/dbraw/zinc/28/48/67/571284867.db2.gz GIWLFCCLEJGWDR-UHFFFAOYSA-N 1 1 352.507 3.593 50 30 FHEAMO Cc1nc(C#N)c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000019927844 571327790 /nfs/dbraw/zinc/32/77/90/571327790.db2.gz UORFDMPUXUHJDV-UHFFFAOYSA-N 1 1 358.445 3.766 50 30 FHEAMO C=CCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000095995142 571333600 /nfs/dbraw/zinc/33/36/00/571333600.db2.gz LDGFGKDMEWVHOP-GHTZIAJQSA-N 1 1 364.489 3.892 50 30 FHEAMO CC(C)[N@@H+]1CCc2c(C#N)c(NC(=O)CCc3ccccc3)sc2C1 ZINC000004086977 571354975 /nfs/dbraw/zinc/35/49/75/571354975.db2.gz AFTILRGEXARSBC-UHFFFAOYSA-N 1 1 353.491 3.958 50 30 FHEAMO CC(C)[N@H+]1CCc2c(C#N)c(NC(=O)CCc3ccccc3)sc2C1 ZINC000004086977 571354976 /nfs/dbraw/zinc/35/49/76/571354976.db2.gz AFTILRGEXARSBC-UHFFFAOYSA-N 1 1 353.491 3.958 50 30 FHEAMO COc1ccccc1CC(=[NH2+])NOC(=O)c1ccc(Cl)cc1Cl ZINC000004723504 207042353 /nfs/dbraw/zinc/04/23/53/207042353.db2.gz 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50 30 FHEAMO N#Cc1ccccc1-c1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000014197019 570518742 /nfs/dbraw/zinc/51/87/42/570518742.db2.gz RTWPNRBWHXVGFH-QHCPKHFHSA-N 1 1 367.452 3.637 50 30 FHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4C[C@H](C)C(=O)C[C@@H]4C)[C@H]3C[C@@H]12 ZINC000061991162 570647419 /nfs/dbraw/zinc/64/74/19/570647419.db2.gz MIVSQBNBIGTKAZ-BLJDSTSXSA-N 1 1 359.510 3.600 50 30 FHEAMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000032843112 570820488 /nfs/dbraw/zinc/82/04/88/570820488.db2.gz HULGDGJSLQOIQH-OAHLLOKOSA-N 1 1 362.882 3.701 50 30 FHEAMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000032843112 570820491 /nfs/dbraw/zinc/82/04/91/570820491.db2.gz HULGDGJSLQOIQH-OAHLLOKOSA-N 1 1 362.882 3.701 50 30 FHEAMO CCc1ccc(C[N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000029696391 571042570 /nfs/dbraw/zinc/04/25/70/571042570.db2.gz WLJPKRXNRHGDRO-IBGZPJMESA-N 1 1 370.456 3.918 50 30 FHEAMO C=CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(-c3ccccc3CO)c2)C[C@H]1C ZINC000426690276 571235463 /nfs/dbraw/zinc/23/54/63/571235463.db2.gz KCHYYSXVAGJVKS-QZTJIDSGSA-N 1 1 364.489 3.567 50 30 FHEAMO C=CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(-c3ccccc3CO)c2)C[C@H]1C ZINC000426690276 571235465 /nfs/dbraw/zinc/23/54/65/571235465.db2.gz KCHYYSXVAGJVKS-QZTJIDSGSA-N 1 1 364.489 3.567 50 30 FHEAMO NC(=[NH+]OCc1nnc(-c2ccccc2C(F)(F)F)o1)C1CCCC1 ZINC000071817042 571270499 /nfs/dbraw/zinc/27/04/99/571270499.db2.gz WQRDIIRHXLHSOG-UHFFFAOYSA-N 1 1 354.332 3.734 50 30 FHEAMO CS[C@H]1CCC[C@H]1[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000076089923 571274245 /nfs/dbraw/zinc/27/42/45/571274245.db2.gz BJXBKVWZUYQBLC-MOPGFXCFSA-N 1 1 359.539 3.766 50 30 FHEAMO N#Cc1ccccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077454596 571321078 /nfs/dbraw/zinc/32/10/78/571321078.db2.gz MVTBWIJUNIFORE-JOCHJYFZSA-N 1 1 351.494 3.705 50 30 FHEAMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000225736212 571338047 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30 FHEAMO N#Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091493794 208979668 /nfs/dbraw/zinc/97/96/68/208979668.db2.gz USPINQAWFZYZEY-RBBKRZOGSA-N 1 1 373.500 3.727 50 30 FHEAMO C#CC[NH+]1CCN(c2nc(-c3cccs3)nc3sc(C)c(C)c32)CC1 ZINC000014249988 533156438 /nfs/dbraw/zinc/15/64/38/533156438.db2.gz YEWINHCUAFYTEC-UHFFFAOYSA-N 1 1 368.531 3.792 50 30 FHEAMO C=CC[N@H+](C)C1CCC2(CC1)CCN(C(=O)c1ccccc1OC)CC2 ZINC000067675185 221269075 /nfs/dbraw/zinc/26/90/75/221269075.db2.gz FOCRJGDAOWDLKW-UHFFFAOYSA-N 1 1 356.510 3.978 50 30 FHEAMO C=C(C)C[NH+]1CCN(c2ncnc3c4cc(C)c(C)nc4sc32)CC1 ZINC000012408604 132373421 /nfs/dbraw/zinc/37/34/21/132373421.db2.gz UHZDPSVRCZEPLQ-UHFFFAOYSA-N 1 1 353.495 3.554 50 30 FHEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3ccc(Br)cc3)CC2)cc1 ZINC000019773303 263376935 /nfs/dbraw/zinc/37/69/35/263376935.db2.gz DOBMPKOUCYKHDT-STZFKDTASA-N 1 1 372.310 3.909 50 30 FHEAMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000060089248 518592176 /nfs/dbraw/zinc/59/21/76/518592176.db2.gz ZKVBTQVEHGBTEP-JOCHJYFZSA-N 1 1 370.468 3.938 50 30 FHEAMO CCSc1ccccc1C(=O)NCC#CC[N@@H+]1CCc2ccccc2C1 ZINC000075165019 521771184 /nfs/dbraw/zinc/77/11/84/521771184.db2.gz RAGOKGMBLJMRPR-UHFFFAOYSA-N 1 1 364.514 3.590 50 30 FHEAMO CCSc1ccccc1C(=O)NCC#CC[N@H+]1CCc2ccccc2C1 ZINC000075165019 521771196 /nfs/dbraw/zinc/77/11/96/521771196.db2.gz RAGOKGMBLJMRPR-UHFFFAOYSA-N 1 1 364.514 3.590 50 30 FHEAMO COC(C)(C)CCC[C@](C)(O)C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000095346026 522473667 /nfs/dbraw/zinc/47/36/67/522473667.db2.gz UBZDIWVELVGWPC-IRLDBZIGSA-N 1 1 358.526 3.958 50 30 FHEAMO COC(C)(C)CCC[C@](C)(O)C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000095346026 522473674 /nfs/dbraw/zinc/47/36/74/522473674.db2.gz UBZDIWVELVGWPC-IRLDBZIGSA-N 1 1 358.526 3.958 50 30 FHEAMO Cc1cccc(OCC(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2Cl)c1 ZINC000004690169 524722282 /nfs/dbraw/zinc/72/22/82/524722282.db2.gz QUMFPJBZWKQYJQ-UHFFFAOYSA-N 1 1 367.232 3.739 50 30 FHEAMO Cc1ccc(OC[C@H]2CCC[N@@H+](Cc3cc(C#CCO)cs3)C2)cc1 ZINC000055371106 525438168 /nfs/dbraw/zinc/43/81/68/525438168.db2.gz KAVXHZDRFDBUKC-IBGZPJMESA-N 1 1 355.503 3.691 50 30 FHEAMO [NH2+]=C(CSCc1ccco1)NOC(=O)c1ccc(C(F)(F)F)cc1 ZINC000004394472 526815428 /nfs/dbraw/zinc/81/54/28/526815428.db2.gz JDBJFQUBEZIXPK-UHFFFAOYSA-N 1 1 358.341 3.661 50 30 FHEAMO N#Cc1c(N)nc2c(c1-c1ccc3[nH]ccc3c1)C[N@H+](Cc1ccco1)CC2 ZINC000072174280 570526462 /nfs/dbraw/zinc/52/64/62/570526462.db2.gz NJLBBEGDTQBXTH-UHFFFAOYSA-N 1 1 369.428 3.835 50 30 FHEAMO N#Cc1c(N)nc2c(c1-c1ccc3[nH]ccc3c1)C[N@@H+](Cc1ccco1)CC2 ZINC000072174280 570526464 /nfs/dbraw/zinc/52/64/64/570526464.db2.gz NJLBBEGDTQBXTH-UHFFFAOYSA-N 1 1 369.428 3.835 50 30 FHEAMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000023450886 570540070 /nfs/dbraw/zinc/54/00/70/570540070.db2.gz DSCDISNVIDYJCG-UHFFFAOYSA-N 1 1 353.853 3.560 50 30 FHEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000023450886 570540075 /nfs/dbraw/zinc/54/00/75/570540075.db2.gz DSCDISNVIDYJCG-UHFFFAOYSA-N 1 1 353.853 3.560 50 30 FHEAMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000032843113 570820540 /nfs/dbraw/zinc/82/05/40/570820540.db2.gz HULGDGJSLQOIQH-HNNXBMFYSA-N 1 1 362.882 3.701 50 30 FHEAMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000032843113 570820543 /nfs/dbraw/zinc/82/05/43/570820543.db2.gz HULGDGJSLQOIQH-HNNXBMFYSA-N 1 1 362.882 3.701 50 30 FHEAMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccccn1)CCC2 ZINC000072311932 571079605 /nfs/dbraw/zinc/07/96/05/571079605.db2.gz DKBNABOWUOTFQW-QGZVFWFLSA-N 1 1 366.490 3.669 50 30 FHEAMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000016623881 571204559 /nfs/dbraw/zinc/20/45/59/571204559.db2.gz CVSOXFGMPVUBEO-AWEZNQCLSA-N 1 1 367.415 3.868 50 30 FHEAMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000016623881 571204561 /nfs/dbraw/zinc/20/45/61/571204561.db2.gz CVSOXFGMPVUBEO-AWEZNQCLSA-N 1 1 367.415 3.868 50 30 FHEAMO CN(C)c1ccc(CN=Nc2cncc([C@H](C#N)c3ccccc3)n2)cc1 ZINC000252600768 571284575 /nfs/dbraw/zinc/28/45/75/571284575.db2.gz DUQKHLJZEIEDSL-LJQANCHMSA-N 1 1 356.433 3.644 50 30 FHEAMO CS/C(=N\C#N)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012953090 571322861 /nfs/dbraw/zinc/32/28/61/571322861.db2.gz OCGXRDYXRWXMFO-XDOYNYLZSA-N 1 1 350.491 3.594 50 30 FHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)CCc4ccccn4)[C@H]3C[C@H]12 ZINC000003999762 571353769 /nfs/dbraw/zinc/35/37/69/571353769.db2.gz SFTDMSJFDWODLH-XARADAHVSA-N 1 1 368.521 3.870 50 30 biogenic FHEAMO CC1(C)CCC[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)C1 ZINC000004028601 571354220 /nfs/dbraw/zinc/35/42/20/571354220.db2.gz FNZNQMPYMHYTSI-YVJBSZDSSA-N 1 1 361.526 3.635 50 30 biogenic FHEAMO Cc1cc(C)n(-c2ccc(N3CCC([N@H+]4CCC[C@@H](C#N)C4)CC3)cc2)n1 ZINC000023543821 940639114 /nfs/dbraw/zinc/63/91/14/940639114.db2.gz LPBPLZCVWNTHNB-IBGZPJMESA-N 1 1 363.509 3.694 50 30 FHEAMO N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](COCc3cccnc3)C2)cc1 ZINC000257191096 942657004 /nfs/dbraw/zinc/65/70/04/942657004.db2.gz OXKLNYHBBNLHBL-IBGZPJMESA-N 1 1 357.404 3.627 50 30 FHEAMO C[C@@H]1CC[C@H]2[C@@H](C[N@H+]3CCCC(C)(C)C3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000012897614 220039981 /nfs/dbraw/zinc/03/99/81/220039981.db2.gz ZOZKVDKCXFLHAQ-SSDRTJPVSA-N 1 1 361.526 3.634 50 30 FHEAMO O=C1CCCC2=C1C1(CCCC1)[NH+]=C(Nc1nc3ccccc3s1)N2 ZINC000006492297 207142709 /nfs/dbraw/zinc/14/27/09/207142709.db2.gz ODANYRXUIXFPLA-UHFFFAOYSA-N 1 1 352.463 3.987 50 30 FHEAMO COc1ccc(/C(C)=N/N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1 ZINC000020190717 220318683 /nfs/dbraw/zinc/31/86/83/220318683.db2.gz FKBROFBJVVZEEA-FCDQGJHFSA-N 1 1 351.494 3.854 50 30 FHEAMO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000095363646 209028923 /nfs/dbraw/zinc/02/89/23/209028923.db2.gz ICXPWBCJBNWCDE-JOCHJYFZSA-N 1 1 373.500 3.900 50 30 FHEAMO C=C(C)CN(C)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067641866 518589211 /nfs/dbraw/zinc/58/92/11/518589211.db2.gz CMDULRGJKZEBDW-UHFFFAOYSA-N 1 1 367.493 3.777 50 30 FHEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102579 518725816 /nfs/dbraw/zinc/72/58/16/518725816.db2.gz YUVIDFOUBOQWDF-IBGZPJMESA-N 1 1 357.425 3.884 50 30 FHEAMO C=CCOc1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1Cl ZINC000225649553 519035919 /nfs/dbraw/zinc/03/59/19/519035919.db2.gz CZJAJVKRQMDNHD-HXUWFJFHSA-N 1 1 359.853 3.665 50 30 FHEAMO COc1c2c(cc3c1[C@H](CC(=NO)c1ccc(C)cc1)[N@H+](C)CC3)OCO2 ZINC000252679462 521888099 /nfs/dbraw/zinc/88/80/99/521888099.db2.gz MVDDOMAAIMLAQN-KRWDZBQOSA-N 1 1 368.433 3.530 50 30 FHEAMO COc1c2c(cc3c1[C@H](CC(=NO)c1ccc(C)cc1)[N@@H+](C)CC3)OCO2 ZINC000252679462 521888107 /nfs/dbraw/zinc/88/81/07/521888107.db2.gz MVDDOMAAIMLAQN-KRWDZBQOSA-N 1 1 368.433 3.530 50 30 FHEAMO COc1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OCCCC#N ZINC000103341033 524068745 /nfs/dbraw/zinc/06/87/45/524068745.db2.gz AHYIAUHJJRYUIX-UHFFFAOYSA-N 1 1 359.514 3.777 50 30 FHEAMO Cc1ccc(C)c(OCC[N@H+](C)Cc2ccc(C#CC(C)(C)O)s2)c1 ZINC000055119125 524175658 /nfs/dbraw/zinc/17/56/58/524175658.db2.gz VTUPYQDXNWIAQH-UHFFFAOYSA-N 1 1 357.519 3.998 50 30 FHEAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)C1 ZINC000011612355 525383447 /nfs/dbraw/zinc/38/34/47/525383447.db2.gz LSCGZJZKKAPTNP-FGTMMUONSA-N 1 1 364.489 3.775 50 30 FHEAMO [NH2+]=C(NOC(=O)c1ccccc1Cl)c1cccc(Br)c1 ZINC000004832236 526811423 /nfs/dbraw/zinc/81/14/23/526811423.db2.gz JRJLIOXIROJHBS-UHFFFAOYSA-N 1 1 353.603 3.580 50 30 FHEAMO Cc1cc(N2CCCC2)ccc1/C=[NH+]/NC(=S)NCc1ccccc1 ZINC000000980705 570467545 /nfs/dbraw/zinc/46/75/45/570467545.db2.gz GIWLFCCLEJGWDR-PXLXIMEGSA-N 1 1 352.507 3.593 50 30 FHEAMO N#Cc1ccc(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000022848739 570694573 /nfs/dbraw/zinc/69/45/73/570694573.db2.gz KCLFVZFKLPZNFG-UHFFFAOYSA-N 1 1 373.859 3.547 50 30 FHEAMO COc1cc2c(cc1OC)[C@H]1C/C(=N\OC(C)=O)[C@H](CC(C)C)C[N@H+]1CC2 ZINC000015306811 570836898 /nfs/dbraw/zinc/83/68/98/570836898.db2.gz HAPOKUSVNOKHRF-FPGHEGDGSA-N 1 1 374.481 3.588 50 30 FHEAMO COc1cc2c(cc1OC)[C@H]1C/C(=N\OC(C)=O)[C@@H](CC(C)C)C[N@H+]1CC2 ZINC000015306814 570837022 /nfs/dbraw/zinc/83/70/22/570837022.db2.gz HAPOKUSVNOKHRF-ZRWTVWRYSA-N 1 1 374.481 3.588 50 30 FHEAMO C=CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(-c3ccc(F)cc3O)cc2)C[C@H]1C ZINC000426443491 571225915 /nfs/dbraw/zinc/22/59/15/571225915.db2.gz XACZOFIPBLMMSQ-HZPDHXFCSA-N 1 1 368.452 3.919 50 30 FHEAMO C=CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(-c3ccc(F)cc3O)cc2)C[C@H]1C ZINC000426443491 571225916 /nfs/dbraw/zinc/22/59/16/571225916.db2.gz XACZOFIPBLMMSQ-HZPDHXFCSA-N 1 1 368.452 3.919 50 30 FHEAMO C=CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104228 571242183 /nfs/dbraw/zinc/24/21/83/571242183.db2.gz JYXGEQSAPYXAGG-IBGZPJMESA-N 1 1 365.395 3.670 50 30 FHEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104228 571242185 /nfs/dbraw/zinc/24/21/85/571242185.db2.gz JYXGEQSAPYXAGG-IBGZPJMESA-N 1 1 365.395 3.670 50 30 FHEAMO C[C@@H]1CC[C@H]2[C@H](C[N@H+]3CCCC(C)(C)C3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000006851726 571250587 /nfs/dbraw/zinc/25/05/87/571250587.db2.gz ZOZKVDKCXFLHAQ-BIKQZGESSA-N 1 1 361.526 3.634 50 30 biogenic FHEAMO N#Cc1ccc(NC(=O)NCC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000299771610 571318798 /nfs/dbraw/zinc/31/87/98/571318798.db2.gz RNNMMDXARFUDTC-FQEVSTJZSA-N 1 1 363.465 3.520 50 30 FHEAMO CC(C)c1nc(C[N@H+](C)CCCC(=O)Nc2ccc(C#N)cc2)cs1 ZINC000252489417 571319626 /nfs/dbraw/zinc/31/96/26/571319626.db2.gz JQQGJMKOFIUSHZ-UHFFFAOYSA-N 1 1 356.495 3.989 50 30 FHEAMO CC(C)c1nc(C[N@@H+](C)CCCC(=O)Nc2ccc(C#N)cc2)cs1 ZINC000252489417 571319627 /nfs/dbraw/zinc/31/96/27/571319627.db2.gz JQQGJMKOFIUSHZ-UHFFFAOYSA-N 1 1 356.495 3.989 50 30 FHEAMO N#Cc1cccnc1N1CC[NH+](Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000065527681 571321183 /nfs/dbraw/zinc/32/11/83/571321183.db2.gz YHERZCOSAKBSBO-UHFFFAOYSA-N 1 1 362.477 3.597 50 30 FHEAMO N#Cc1ccc(-c2cccc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)c2)cc1Cl ZINC000426690582 571322265 /nfs/dbraw/zinc/32/22/65/571322265.db2.gz MPOVBCOLOAJPQP-IBGZPJMESA-N 1 1 365.864 3.799 50 30 FHEAMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000029983982 571344643 /nfs/dbraw/zinc/34/46/43/571344643.db2.gz YUIDZLOJSIAQEB-UHFFFAOYSA-N 1 1 359.429 3.653 50 30 FHEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000029983982 571344644 /nfs/dbraw/zinc/34/46/44/571344644.db2.gz YUIDZLOJSIAQEB-UHFFFAOYSA-N 1 1 359.429 3.653 50 30 FHEAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000007737648 207204672 /nfs/dbraw/zinc/20/46/72/207204672.db2.gz COGWCCASROJGHG-QGZVFWFLSA-N 1 1 365.502 3.924 50 30 FHEAMO CC(C)c1ccc(C[N@H+](C)CC(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000032751400 208039093 /nfs/dbraw/zinc/03/90/93/208039093.db2.gz JDOODWCIGSLCHM-UHFFFAOYSA-N 1 1 353.466 3.777 50 30 FHEAMO CC(C)c1ccc(C[N@@H+](C)CC(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000032751400 208039098 /nfs/dbraw/zinc/03/90/98/208039098.db2.gz JDOODWCIGSLCHM-UHFFFAOYSA-N 1 1 353.466 3.777 50 30 FHEAMO C[C@@H]1CCC[N@H+](CN2c3ccccc3C(=NNc3ccccc3F)C2=O)C1 ZINC000036137567 208148874 /nfs/dbraw/zinc/14/88/74/208148874.db2.gz QSCGUFNKDBSTRB-YWNOGDAOSA-N 1 1 366.440 3.678 50 30 FHEAMO C[C@@H]1CCC[N@@H+](CN2c3ccccc3C(=NNc3ccccc3F)C2=O)C1 ZINC000036137567 208148878 /nfs/dbraw/zinc/14/88/78/208148878.db2.gz QSCGUFNKDBSTRB-YWNOGDAOSA-N 1 1 366.440 3.678 50 30 FHEAMO O=C(NCC#CC[N@@H+]1CCc2ccccc2C1)c1cccc2ccccc21 ZINC000070641608 208175458 /nfs/dbraw/zinc/17/54/58/208175458.db2.gz LBDXLVWPPUIHNZ-UHFFFAOYSA-N 1 1 354.453 3.631 50 30 FHEAMO O=C(NCC#CC[N@H+]1CCc2ccccc2C1)c1cccc2ccccc21 ZINC000070641608 208175462 /nfs/dbraw/zinc/17/54/62/208175462.db2.gz LBDXLVWPPUIHNZ-UHFFFAOYSA-N 1 1 354.453 3.631 50 30 FHEAMO C[N@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1ccc(C#N)cc1)CC2 ZINC000095507357 209067896 /nfs/dbraw/zinc/06/78/96/209067896.db2.gz SQOVOUXOQLFGQI-OAQYLSRUSA-N 1 1 359.473 3.652 50 30 FHEAMO C=CCC[C@@H](C[N@@H+](C)C1CCN(C)CC1)Oc1cc(C(C)C)nc(C)n1 ZINC000067757040 518710664 /nfs/dbraw/zinc/71/06/64/518710664.db2.gz OZLIGKUMIMZMKC-IBGZPJMESA-N 1 1 360.546 3.648 50 30 FHEAMO C=CCn1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc2sccc21 ZINC000037525798 519165801 /nfs/dbraw/zinc/16/58/01/519165801.db2.gz YSEGOLSQIPZWSO-UHFFFAOYSA-N 1 1 365.502 3.847 50 30 FHEAMO C=CCn1cc(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3F)C2)c(C)n1 ZINC000020539881 519278900 /nfs/dbraw/zinc/27/89/00/519278900.db2.gz HIVOEPOMQHCLDI-FQEVSTJZSA-N 1 1 356.489 3.613 50 30 FHEAMO C=CCn1cc(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c(C)n1 ZINC000020539881 519278906 /nfs/dbraw/zinc/27/89/06/519278906.db2.gz HIVOEPOMQHCLDI-FQEVSTJZSA-N 1 1 356.489 3.613 50 30 FHEAMO C=CCn1cc(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c(C)n1 ZINC000020539881 519278913 /nfs/dbraw/zinc/27/89/13/519278913.db2.gz HIVOEPOMQHCLDI-FQEVSTJZSA-N 1 1 356.489 3.613 50 30 FHEAMO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@H+](C)CCCC)C2 ZINC000014543200 519286642 /nfs/dbraw/zinc/28/66/42/519286642.db2.gz FPSHIHNQQGRZKH-GOSISDBHSA-N 1 1 372.557 3.675 50 30 FHEAMO C[C@@H](Oc1cccc(Cl)c1)C(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004978568 525943674 /nfs/dbraw/zinc/94/36/74/525943674.db2.gz JEAQWLPBCGTUJU-SNVBAGLBSA-N 1 1 353.205 3.624 50 30 FHEAMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1c1cccs1)c1ccccc1F ZINC000020947918 526448608 /nfs/dbraw/zinc/44/86/08/526448608.db2.gz WPNDZFVLPSIQOZ-KRWDZBQOSA-N 1 1 357.454 3.971 50 30 FHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1cccs1)c1ccccc1F ZINC000020947918 526448609 /nfs/dbraw/zinc/44/86/09/526448609.db2.gz WPNDZFVLPSIQOZ-KRWDZBQOSA-N 1 1 357.454 3.971 50 30 FHEAMO C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329198400 570610820 /nfs/dbraw/zinc/61/08/20/570610820.db2.gz VPKKLPXHMDCBPE-OAHLLOKOSA-N 1 1 360.502 3.506 50 30 FHEAMO C=CCN(CC=C)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012205954 571117685 /nfs/dbraw/zinc/11/76/85/571117685.db2.gz GAKLPYHMFGILJV-JOCHJYFZSA-N 1 1 372.553 3.865 50 30 FHEAMO Cc1cc(N[C@H](C)C(=O)Nc2sccc2C#N)ccc1[NH+]1CCCC1 ZINC000012507653 571173169 /nfs/dbraw/zinc/17/31/69/571173169.db2.gz FCELBWOLGLWVNN-CQSZACIVSA-N 1 1 354.479 3.968 50 30 FHEAMO CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000026807967 571198402 /nfs/dbraw/zinc/19/84/02/571198402.db2.gz NFSHPOFMBFJDFL-AWEZNQCLSA-N 1 1 350.871 3.535 50 30 FHEAMO N#Cc1nc(-c2ccccc2F)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000054061443 571199177 /nfs/dbraw/zinc/19/91/77/571199177.db2.gz MGKJARAMTCPJNW-UHFFFAOYSA-N 1 1 362.408 3.675 50 30 FHEAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)NCCSCc1ccccc1C#N ZINC000016695768 571212704 /nfs/dbraw/zinc/21/27/04/571212704.db2.gz OIKFOAZJRDTISB-QGZVFWFLSA-N 1 1 367.518 3.601 50 30 FHEAMO N#Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)c1 ZINC000091326963 571318826 /nfs/dbraw/zinc/31/88/26/571318826.db2.gz GMMKRTZMACZRMG-JOCHJYFZSA-N 1 1 351.494 3.705 50 30 FHEAMO Cc1ccc([C@@H]2C[N@@H+](Cc3cccc(C#N)c3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072436138 571319163 /nfs/dbraw/zinc/31/91/63/571319163.db2.gz YLDWJELECDEZEM-RBZQAINGSA-N 1 1 357.501 3.929 50 30 FHEAMO Cc1ccccc1CN1C[C@@H]2C[C@@H](C#Cc3ccccc3)[N@H+]3CCC[C@@]23C1=O ZINC000012453927 210140190 /nfs/dbraw/zinc/14/01/90/210140190.db2.gz VRHQEXSKNPLMTQ-ARNLJNQMSA-N 1 1 370.496 3.612 50 30 FHEAMO C=CCOC[C@H](O)C[N@@H+](Cc1cccn1Cc1cccc(F)c1)CC(C)C ZINC000004606501 210104399 /nfs/dbraw/zinc/10/43/99/210104399.db2.gz ZQPLAKLDEKLSNH-JOCHJYFZSA-N 1 1 374.500 3.697 50 30 FHEAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)Cc4ccccc4)[C@H]3[C@@H]3O[C@]312 ZINC000004084428 219540274 /nfs/dbraw/zinc/54/02/74/219540274.db2.gz GUEMLDIJFWCIGQ-RUZUTBJTSA-N 1 1 369.505 3.644 50 30 biogenic FHEAMO C[N@H+]1CCc2nc(SCc3ccccc3Br)c(C#N)cc2C1 ZINC000019851641 211260590 /nfs/dbraw/zinc/26/05/90/211260590.db2.gz CLKZQJVBFYJDQJ-UHFFFAOYSA-N 1 1 374.307 3.996 50 30 FHEAMO Cc1oc(NC(=O)c2ccc(C[N@H+](C)Cc3ccno3)cc2)c(C#N)c1C ZINC000065420721 221217080 /nfs/dbraw/zinc/21/70/80/221217080.db2.gz PNBDPBJHTXCTAJ-UHFFFAOYSA-N 1 1 364.405 3.640 50 30 FHEAMO Cc1oc(NC(=O)c2ccc(C[N@@H+](C)Cc3ccno3)cc2)c(C#N)c1C ZINC000065420721 221217083 /nfs/dbraw/zinc/21/70/83/221217083.db2.gz PNBDPBJHTXCTAJ-UHFFFAOYSA-N 1 1 364.405 3.640 50 30 FHEAMO N#Cc1c(C#N)c(N2CCC(c3[nH]cc[nH+]3)CC2)nc2c1CCCCCC2 ZINC000225455673 132284835 /nfs/dbraw/zinc/28/48/35/132284835.db2.gz KVECOPRZBFJMCL-UHFFFAOYSA-N 1 1 360.465 3.591 50 30 FHEAMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(F)cc1C#N ZINC000097472962 222182724 /nfs/dbraw/zinc/18/27/24/222182724.db2.gz ROYYFFVLQBYLCN-UHFFFAOYSA-N 1 1 354.429 3.859 50 30 FHEAMO C=CCn1c(SCc2cc(NCC)cc[nH+]2)nc2ccccc2c1=O ZINC000089977936 519238731 /nfs/dbraw/zinc/23/87/31/519238731.db2.gz FQZFFPMMRQEQLW-UHFFFAOYSA-N 1 1 352.463 3.702 50 30 FHEAMO CS[C@@H]1CCC[C@@H]1[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000107064684 525832086 /nfs/dbraw/zinc/83/20/86/525832086.db2.gz BJXBKVWZUYQBLC-RBUKOAKNSA-N 1 1 359.539 3.766 50 30 FHEAMO Cc1onc(-c2ccccc2Cl)c1C(=O)ONC(=[NH2+])c1ccccc1 ZINC000004821417 526850362 /nfs/dbraw/zinc/85/03/62/526850362.db2.gz FOAQREHMCKCECH-UHFFFAOYSA-N 1 1 355.781 3.781 50 30 FHEAMO N#Cc1c(Cl)nsc1NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000052469390 571145028 /nfs/dbraw/zinc/14/50/28/571145028.db2.gz UVDVMCPBDPVMLT-UHFFFAOYSA-N 1 1 350.850 3.884 50 30 FHEAMO C[C@H]1CCC[N@H+](CN2c3ccccc3C(=NNc3ccccc3F)C2=O)C1 ZINC000036137569 571243161 /nfs/dbraw/zinc/24/31/61/571243161.db2.gz QSCGUFNKDBSTRB-HNZYNWIWSA-N 1 1 366.440 3.678 50 30 FHEAMO C[C@H]1CCC[N@@H+](CN2c3ccccc3C(=NNc3ccccc3F)C2=O)C1 ZINC000036137569 571243163 /nfs/dbraw/zinc/24/31/63/571243163.db2.gz QSCGUFNKDBSTRB-HNZYNWIWSA-N 1 1 366.440 3.678 50 30 FHEAMO COc1ccc(OC[C@@H](O)C[N@H+](CCC#N)CC(C)C)c(C(C)(C)C)c1 ZINC000007064357 571260320 /nfs/dbraw/zinc/26/03/20/571260320.db2.gz QJUXSCMRLRQLII-KRWDZBQOSA-N 1 1 362.514 3.604 50 30 FHEAMO COc1ccc(OC[C@@H](O)C[N@@H+](CCC#N)CC(C)C)c(C(C)(C)C)c1 ZINC000007064357 571260321 /nfs/dbraw/zinc/26/03/21/571260321.db2.gz QJUXSCMRLRQLII-KRWDZBQOSA-N 1 1 362.514 3.604 50 30 FHEAMO C[N@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2ccccc2C#N)C1 ZINC000095527817 571331262 /nfs/dbraw/zinc/33/12/62/571331262.db2.gz UUXNEWNWYLPKEQ-HXUWFJFHSA-N 1 1 361.489 3.585 50 30 FHEAMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000003422190 571349442 /nfs/dbraw/zinc/34/94/42/571349442.db2.gz YXUBZXINQWIWLY-CYBMUJFWSA-N 1 1 372.266 3.780 50 30 FHEAMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000003422190 571349443 /nfs/dbraw/zinc/34/94/43/571349443.db2.gz YXUBZXINQWIWLY-CYBMUJFWSA-N 1 1 372.266 3.780 50 30 FHEAMO C=CCCC(=O)N1CCC([N@H+]2CCC[C@H]2COCc2ccccc2)CC1 ZINC000217595669 210172851 /nfs/dbraw/zinc/17/28/51/210172851.db2.gz KWEYIWQCPCRUCG-NRFANRHFSA-N 1 1 356.510 3.625 50 30 FHEAMO C=CCc1cc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c(O)c(OC)c1 ZINC000033033988 210167463 /nfs/dbraw/zinc/16/74/63/210167463.db2.gz PAPYOPUZYSKSCJ-UHFFFAOYSA-N 1 1 357.450 3.779 50 30 FHEAMO C#C[C@@H]1C[N@H+](C23CC4CC(CC(C4)C2)C3)C[C@H](C#C)N1Cc1ccccc1 ZINC000022581031 210160244 /nfs/dbraw/zinc/16/02/44/210160244.db2.gz RZPRZMVXVOSGBW-VSWHNUGGSA-N 1 1 358.529 3.777 50 30 FHEAMO N#Cc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cn1 ZINC000299774406 210021807 /nfs/dbraw/zinc/02/18/07/210021807.db2.gz CWLUNXWPMVSIHY-LJQANCHMSA-N 1 1 368.868 3.564 50 30 FHEAMO COc1c(F)cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)cc1Cl ZINC000067604205 221262043 /nfs/dbraw/zinc/26/20/43/221262043.db2.gz KBOAOQWYCQENRJ-ZUZCIYMTSA-N 1 1 372.831 3.695 50 30 FHEAMO COC[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)Nc2sccc2C#N)c1 ZINC000067726367 221277702 /nfs/dbraw/zinc/27/77/02/221277702.db2.gz LNAVXNLHYHLXKT-SFHVURJKSA-N 1 1 369.490 3.873 50 30 FHEAMO C=CC[C@]1(CO)CCC[N@H+](C2CCN(c3ccc4c(c3)CCC4)CC2)C1 ZINC000091664883 132303767 /nfs/dbraw/zinc/30/37/67/132303767.db2.gz VGMNHFXDRMXZAB-QHCPKHFHSA-N 1 1 354.538 3.795 50 30 FHEAMO COc1ccc(C(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2Cl)cc1 ZINC000004812567 523768413 /nfs/dbraw/zinc/76/84/13/523768413.db2.gz BEUHMJKGWBHUJK-UHFFFAOYSA-N 1 1 353.205 3.674 50 30 FHEAMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024668222 567891440 /nfs/dbraw/zinc/89/14/40/567891440.db2.gz FQQQUIKXVWDUPI-KRWDZBQOSA-N 1 1 374.444 3.908 50 30 FHEAMO Cc1ccc(S(=O)(=O)O[C@H]2CC[C@]3(C)C[N@@H+](C)CC[C@@]3(C)C2)cc1 ZINC000004368172 570587423 /nfs/dbraw/zinc/58/74/23/570587423.db2.gz ORRZVXBXIVSUAD-YTQUADARSA-N 1 1 351.512 3.601 50 30 FHEAMO Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)C[N@@H+](C)CC[C@@]3(C)C2)cc1 ZINC000004368175 570587497 /nfs/dbraw/zinc/58/74/97/570587497.db2.gz ORRZVXBXIVSUAD-WDSOQIARSA-N 1 1 351.512 3.601 50 30 FHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1)c1ccccc1F ZINC000025358761 570994992 /nfs/dbraw/zinc/99/49/92/570994992.db2.gz UWSVJRCNSWSWSF-IBGZPJMESA-N 1 1 365.452 3.779 50 30 FHEAMO COc1ccc([C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)cc1OC ZINC000040067030 571071028 /nfs/dbraw/zinc/07/10/28/571071028.db2.gz BKDXHBMFCZBTIJ-IBGZPJMESA-N 1 1 352.434 3.791 50 30 FHEAMO CCCCCCCCc1c(O)nc(SCC[NH+](CC)CC)[nH]c1=O ZINC000097951553 571153045 /nfs/dbraw/zinc/15/30/45/571153045.db2.gz ZRVCEPHXDVJJOQ-UHFFFAOYSA-N 1 1 355.548 3.812 50 30 FHEAMO Cc1ccc(-c2nc(C#N)c(N3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000054061437 571199222 /nfs/dbraw/zinc/19/92/22/571199222.db2.gz YFXZUPSUDLXIJX-UHFFFAOYSA-N 1 1 358.445 3.844 50 30 FHEAMO CCCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)c2ccccc2c1OC ZINC000003791397 571352490 /nfs/dbraw/zinc/35/24/90/571352490.db2.gz IDZASIQMRGPBCQ-KRWDZBQOSA-N 1 1 365.477 3.714 50 30 investigational FHEAMO COc1c2c(cc3c1[C@H](C/C(CCC=C(C)C)=N/O)[N@@H+](C)CC3)OCO2 ZINC000004030014 571354208 /nfs/dbraw/zinc/35/42/08/571354208.db2.gz ZWCOOCOWDXKMES-WASCAKKMSA-N 1 1 360.454 3.920 50 30 biogenic FHEAMO C=C(C)C[N@H+](CC)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014753193 210145809 /nfs/dbraw/zinc/14/58/09/210145809.db2.gz JWIRVPSIURLTED-GOSISDBHSA-N 1 1 372.557 3.530 50 30 FHEAMO Cc1ccsc1[C@@H]1CC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)C[C@H]1O ZINC000065393564 210099483 /nfs/dbraw/zinc/09/94/83/210099483.db2.gz IJYJHGJVEQBBMZ-WOJBJXKFSA-N 1 1 369.530 3.529 50 30 FHEAMO C=CCOc1ccc(C[NH2+][C@@H](C)c2cn3ncsc3n2)cc1CC=C ZINC000055119291 210068768 /nfs/dbraw/zinc/06/87/68/210068768.db2.gz HKDNIJXHXKXMMB-AWEZNQCLSA-N 1 1 354.479 3.935 50 30 FHEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(Br)cc3)CC2)cc1 ZINC000020189286 211270830 /nfs/dbraw/zinc/27/08/30/211270830.db2.gz DOBMPKOUCYKHDT-KGENOOAVSA-N 1 1 372.310 3.909 50 30 FHEAMO Cc1cccc(NC(=O)c2cccc(C[N@@H+](C)C[C@@H]3CCCO3)c2)c1C#N ZINC000067754657 221280635 /nfs/dbraw/zinc/28/06/35/221280635.db2.gz JFZHRNKVHXNEBL-IBGZPJMESA-N 1 1 363.461 3.730 50 30 FHEAMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000097492032 222184251 /nfs/dbraw/zinc/18/42/51/222184251.db2.gz ZAQKVTWUKFWNHZ-UHFFFAOYSA-N 1 1 372.852 3.631 50 30 FHEAMO C=CCOc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1OC ZINC000009983757 263362756 /nfs/dbraw/zinc/36/27/56/263362756.db2.gz KYPWSQCBPVCUMI-UHFFFAOYSA-N 1 1 368.477 3.512 50 30 FHEAMO Brc1ccccc1/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019771444 263376768 /nfs/dbraw/zinc/37/67/68/263376768.db2.gz HIKONUUVCMZDNT-XSFVSMFZSA-N 1 1 358.283 3.601 50 30 FHEAMO C=CCC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103161 518718979 /nfs/dbraw/zinc/71/89/79/518718979.db2.gz APARHHCPAXKCFK-GOSISDBHSA-N 1 1 357.425 3.884 50 30 FHEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103161 518718984 /nfs/dbraw/zinc/71/89/84/518718984.db2.gz APARHHCPAXKCFK-GOSISDBHSA-N 1 1 357.425 3.884 50 30 FHEAMO C=CCNC(=O)[C@H]1C[C@H](c2ccccc2)C[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711387 518931290 /nfs/dbraw/zinc/93/12/90/518931290.db2.gz HNEMPCSVYQAONU-OALUTQOASA-N 1 1 370.443 3.873 50 30 FHEAMO Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019893370 527537604 /nfs/dbraw/zinc/53/76/04/527537604.db2.gz FOORCIAZMIWALX-JJIBRWJFSA-N 1 1 373.504 3.641 50 30 in-vitro FHEAMO Cc1nn(-c2ccccc2)c(C)c1C=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000252429345 527540483 /nfs/dbraw/zinc/54/04/83/527540483.db2.gz FOORCIAZMIWALX-UHFFFAOYSA-N 1 1 373.504 3.641 50 30 FHEAMO Cc1nc(C(F)(F)F)c(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)s1 ZINC000004394866 570589733 /nfs/dbraw/zinc/58/97/33/570589733.db2.gz CKHJTLFBKABIEW-UHFFFAOYSA-N 1 1 363.748 3.601 50 30 FHEAMO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329198399 570610841 /nfs/dbraw/zinc/61/08/41/570610841.db2.gz VPKKLPXHMDCBPE-HNNXBMFYSA-N 1 1 360.502 3.506 50 30 FHEAMO N#CC1(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000329502118 570617424 /nfs/dbraw/zinc/61/74/24/570617424.db2.gz WBVLHPZPOUDIIF-CYBMUJFWSA-N 1 1 368.264 3.849 50 30 FHEAMO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000329502118 570617427 /nfs/dbraw/zinc/61/74/27/570617427.db2.gz WBVLHPZPOUDIIF-CYBMUJFWSA-N 1 1 368.264 3.849 50 30 FHEAMO CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025230102 570992438 /nfs/dbraw/zinc/99/24/38/570992438.db2.gz GFKWWIUSSIQTQY-HNNXBMFYSA-N 1 1 364.898 3.729 50 30 FHEAMO COc1c2c(cc3c1[C@@H](C(=S)Nc1ccccc1C)[N@H+](C)CC3)OCO2 ZINC000006237995 571167732 /nfs/dbraw/zinc/16/77/32/571167732.db2.gz YHVVMWZFOQHJRK-KRWDZBQOSA-N 1 1 370.474 3.921 50 30 biogenic FHEAMO COc1c2c(cc3c1[C@@H](C(=S)Nc1ccccc1C)[N@@H+](C)CC3)OCO2 ZINC000006237995 571167733 /nfs/dbraw/zinc/16/77/33/571167733.db2.gz YHVVMWZFOQHJRK-KRWDZBQOSA-N 1 1 370.474 3.921 50 30 biogenic FHEAMO Cc1ccccc1-c1nc(C#N)c(N2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000054061439 571198775 /nfs/dbraw/zinc/19/87/75/571198775.db2.gz KZMOWBVWXJZQJP-UHFFFAOYSA-N 1 1 358.445 3.844 50 30 FHEAMO N#Cc1ccccc1C[N@@H+]1CCC[C@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077454591 571321053 /nfs/dbraw/zinc/32/10/53/571321053.db2.gz MVTBWIJUNIFORE-QFIPXVFZSA-N 1 1 351.494 3.705 50 30 FHEAMO N#Cc1ccnc(-c2ccc(C(=O)N3CCC[N@H+](C4CCCC4)CC3)cc2)c1 ZINC000426370315 571322005 /nfs/dbraw/zinc/32/20/05/571322005.db2.gz FGMRYGOBYSOGGI-UHFFFAOYSA-N 1 1 374.488 3.711 50 30 FHEAMO CC[N@H+](Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000008130942 571359300 /nfs/dbraw/zinc/35/93/00/571359300.db2.gz LVWJNDVHAOMLEH-AWEZNQCLSA-N 1 1 355.413 3.555 50 30 FHEAMO CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000008130942 571359301 /nfs/dbraw/zinc/35/93/01/571359301.db2.gz LVWJNDVHAOMLEH-AWEZNQCLSA-N 1 1 355.413 3.555 50 30 FHEAMO O=C(C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)Nc1ccc(Cl)cn1 ZINC000329078922 942240754 /nfs/dbraw/zinc/24/07/54/942240754.db2.gz QQKFKAMBQNOYIB-FGTMMUONSA-N 1 1 371.868 3.828 50 30 FHEAMO N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](COCc3cccnc3)C2)cc1 ZINC000257191097 942657370 /nfs/dbraw/zinc/65/73/70/942657370.db2.gz OXKLNYHBBNLHBL-LJQANCHMSA-N 1 1 357.404 3.627 50 30 FHEAMO C=CCn1c(C[N@@H+](C)CC2CCCCC2)nnc1SC[C@H]1CCCO1 ZINC000015066989 210145691 /nfs/dbraw/zinc/14/56/91/210145691.db2.gz HMLBSAZPNALFHW-QGZVFWFLSA-N 1 1 364.559 3.747 50 30 FHEAMO C=CCn1c(C[N@H+](C)CC2CCCCC2)nnc1SC[C@H]1CCCO1 ZINC000015066989 210145685 /nfs/dbraw/zinc/14/56/85/210145685.db2.gz HMLBSAZPNALFHW-QGZVFWFLSA-N 1 1 364.559 3.747 50 30 FHEAMO N#Cc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cn1 ZINC000299774403 210020245 /nfs/dbraw/zinc/02/02/45/210020245.db2.gz CWLUNXWPMVSIHY-IBGZPJMESA-N 1 1 368.868 3.564 50 30 FHEAMO C[N@H+]1CCc2nc(SCc3cccc(Br)c3)c(C#N)cc2C1 ZINC000019852717 211260239 /nfs/dbraw/zinc/26/02/39/211260239.db2.gz QHNPRSOZROKNOG-UHFFFAOYSA-N 1 1 374.307 3.996 50 30 FHEAMO C/C(=N\N1CC[NH+](Cc2ccc(C)cc2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000019800697 211256309 /nfs/dbraw/zinc/25/63/09/211256309.db2.gz XDVMVYKBMKKFQU-RELWKKBWSA-N 1 1 366.465 3.753 50 30 FHEAMO COc1ccccc1-c1c(C#N)c(N)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000018241844 211195404 /nfs/dbraw/zinc/19/54/04/211195404.db2.gz FLTLNMQPQLVMPG-UHFFFAOYSA-N 1 1 370.456 3.769 50 30 FHEAMO COc1ccccc1-c1c(C#N)c(N)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000018241844 211195407 /nfs/dbraw/zinc/19/54/07/211195407.db2.gz FLTLNMQPQLVMPG-UHFFFAOYSA-N 1 1 370.456 3.769 50 30 FHEAMO N#Cc1cccc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000016422329 211160758 /nfs/dbraw/zinc/16/07/58/211160758.db2.gz PNLNNWCLFUTFHJ-UHFFFAOYSA-N 1 1 360.383 3.684 50 30 FHEAMO COc1c2c(cc3c1[C@H](C/C(=N/O)[C@H]1CC=C(C)CC1)[N@@H+](C)CC3)OCO2 ZINC000020411770 220325753 /nfs/dbraw/zinc/32/57/53/220325753.db2.gz LURJWDVAWXQBDF-GFWBCYJCSA-N 1 1 372.465 3.920 50 30 FHEAMO C=CCOc1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)cc1Cl ZINC000225649580 519035392 /nfs/dbraw/zinc/03/53/92/519035392.db2.gz CZJAJVKRQMDNHD-FQEVSTJZSA-N 1 1 359.853 3.665 50 30 FHEAMO CCc1ccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCCC2)c2cccs2)cc1 ZINC000039990637 524033047 /nfs/dbraw/zinc/03/30/47/524033047.db2.gz WEEKBBVLQCUTSR-HXUWFJFHSA-N 1 1 367.518 3.942 50 30 FHEAMO Cc1cccc([C@@H](C(=O)N2CCC(c3cccc(C#N)c3)CC2)[NH+](C)C)c1 ZINC000091695826 524814442 /nfs/dbraw/zinc/81/44/42/524814442.db2.gz VBNWBCOBDAZNTC-QFIPXVFZSA-N 1 1 361.489 3.876 50 30 FHEAMO O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N(CC#Cc1ccccc1)C1CC1 ZINC000055088350 526537885 /nfs/dbraw/zinc/53/78/85/526537885.db2.gz GIBNZNMZEKYBIA-FQEVSTJZSA-N 1 1 362.473 3.534 50 30 FHEAMO O/N=C(\CCC[N@H+]1CC[C@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000004811706 527589314 /nfs/dbraw/zinc/58/93/14/527589314.db2.gz YHUSZJFVJPKOKC-YFJJEWJYSA-N 1 1 366.461 3.906 50 30 FHEAMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3C#N)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072167761 570526370 /nfs/dbraw/zinc/52/63/70/570526370.db2.gz WSWGEUBYCNJCQH-WXFUMESZSA-N 1 1 373.500 3.629 50 30 FHEAMO N#Cc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000071901282 570621629 /nfs/dbraw/zinc/62/16/29/570621629.db2.gz ZIIUDVGSKLTBRA-UHFFFAOYSA-N 1 1 368.868 3.604 50 30 FHEAMO C[C@@H]1/C(=N/O)C[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004344353 570750511 /nfs/dbraw/zinc/75/05/11/570750511.db2.gz LFGUOKSONBHVJF-TZVIPLRESA-N 1 1 370.365 3.745 50 30 FHEAMO Cc1cccc(NC(=S)N2CCC([N@@H+](C)C[C@H]3CCCO3)CC2)c1C ZINC000008801973 571062015 /nfs/dbraw/zinc/06/20/15/571062015.db2.gz AAUCERIZRHJGAI-GOSISDBHSA-N 1 1 361.555 3.796 50 30 FHEAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2ccc(-c3ccccc3C#N)cc2)C1 ZINC000426563404 571322206 /nfs/dbraw/zinc/32/22/06/571322206.db2.gz 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CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000008130944 571359288 /nfs/dbraw/zinc/35/92/88/571359288.db2.gz LVWJNDVHAOMLEH-CQSZACIVSA-N 1 1 355.413 3.555 50 30 FHEAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cc(C4CC4)[nH]n3)cc2)C[C@H](C)O1 ZINC000328930907 942226560 /nfs/dbraw/zinc/22/65/60/942226560.db2.gz HQPAOENSHJDXNX-OKILXGFUSA-N 1 1 354.454 3.533 50 30 FHEAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cc(C4CC4)[nH]n3)cc2)C[C@H](C)O1 ZINC000328930907 942226564 /nfs/dbraw/zinc/22/65/64/942226564.db2.gz HQPAOENSHJDXNX-OKILXGFUSA-N 1 1 354.454 3.533 50 30 FHEAMO CC1(C)CCC[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)C1 ZINC000012659932 220016410 /nfs/dbraw/zinc/01/64/10/220016410.db2.gz FNZNQMPYMHYTSI-IZULFBDQSA-N 1 1 361.526 3.635 50 30 FHEAMO CC(C)CCC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC000067909470 221304542 /nfs/dbraw/zinc/30/45/42/221304542.db2.gz AMYDOFRRXDVPOQ-JOCHJYFZSA-N 1 1 353.510 3.809 50 30 FHEAMO C[NH+](C)Cc1cc(-c2cc(-c3ccsc3)nc(N)c2C#N)ccc1O 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/nfs/dbraw/zinc/08/01/40/571080140.db2.gz JGAAODIBPJDXFG-UHFFFAOYSA-N 1 1 350.447 3.629 50 30 FHEAMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1nc2ccccc2s1 ZINC000012760449 571080141 /nfs/dbraw/zinc/08/01/41/571080141.db2.gz JGAAODIBPJDXFG-UHFFFAOYSA-N 1 1 350.447 3.629 50 30 FHEAMO Cc1cccc2nc(C3CC[NH+](Cc4cc(C#CCO)cs4)CC3)[nH]c21 ZINC000067834036 571082810 /nfs/dbraw/zinc/08/28/10/571082810.db2.gz ZZWMIAZLRQUDDL-UHFFFAOYSA-N 1 1 365.502 3.656 50 30 FHEAMO COc1ccc(/C(C)=N\N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1 ZINC000033097059 571155532 /nfs/dbraw/zinc/15/55/32/571155532.db2.gz FKBROFBJVVZEEA-NMWGTECJSA-N 1 1 351.494 3.854 50 30 FHEAMO CC1=C2[C@H]3OC(=O)[C@@H](C[N@H+]4CCCC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000004027230 571205888 /nfs/dbraw/zinc/20/58/88/571205888.db2.gz YVEXKOLTDDJUNU-ZLFOXAAKSA-N 1 1 357.494 3.522 50 30 biogenic FHEAMO COc1ccc(C(C)=NN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OC ZINC000252596705 571284489 /nfs/dbraw/zinc/28/44/89/571284489.db2.gz CLNVGGPDUKAMRT-UHFFFAOYSA-N 1 1 367.493 3.554 50 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CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072165228 570526382 /nfs/dbraw/zinc/52/63/82/570526382.db2.gz IJJXUJKZPAAZPP-IBGZPJMESA-N 1 1 366.440 3.826 50 30 FHEAMO Cc1ccc(C(=O)ONC(=[NH2+])c2ccc(Br)cc2)c(Cl)c1 ZINC000004755365 570604998 /nfs/dbraw/zinc/60/49/98/570604998.db2.gz CZUSQIKPUZQTSS-UHFFFAOYSA-N 1 1 367.630 3.888 50 30 FHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1)c1ccccc1F ZINC000025358758 570994772 /nfs/dbraw/zinc/99/47/72/570994772.db2.gz UWSVJRCNSWSWSF-LJQANCHMSA-N 1 1 365.452 3.779 50 30 FHEAMO COc1cc2c(cc1OC)[C@@H]1C/C(=N\OC(C)=O)[C@H](CC(C)C)C[N@H+]1CC2 ZINC000012401414 571089311 /nfs/dbraw/zinc/08/93/11/571089311.db2.gz HAPOKUSVNOKHRF-KCWFZBIGSA-N 1 1 374.481 3.588 50 30 FHEAMO C[N@@H+](Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3)C1CCCCC1 ZINC000009912944 571120760 /nfs/dbraw/zinc/12/07/60/571120760.db2.gz JRXRACGFGQMNQW-UHFFFAOYSA-N 1 1 370.522 3.625 50 30 FHEAMO CC[N@H+](CCOc1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076089755 571274280 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C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2ccc(-c3ccccc3C#N)cc2)C1 ZINC000426563405 571322171 /nfs/dbraw/zinc/32/21/71/571322171.db2.gz QSQKQYQQJYMYEG-QGZVFWFLSA-N 1 1 359.473 3.924 50 30 FHEAMO N#Cc1ccc(NC(=O)C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000095349084 571328806 /nfs/dbraw/zinc/32/88/06/571328806.db2.gz GPSOUHBKDDYANB-UHFFFAOYSA-N 1 1 356.429 3.767 50 30 FHEAMO N#Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000095349084 571328807 /nfs/dbraw/zinc/32/88/07/571328807.db2.gz GPSOUHBKDDYANB-UHFFFAOYSA-N 1 1 356.429 3.767 50 30 FHEAMO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2nccn2Cc2cscn2)C1 ZINC000095386811 571329193 /nfs/dbraw/zinc/32/91/93/571329193.db2.gz ILOWWZVAULOYDL-SFHVURJKSA-N 1 1 363.490 3.639 50 30 FHEAMO Cc1cnc(-c2ccncc2)n1[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000581808222 940617060 /nfs/dbraw/zinc/61/70/60/940617060.db2.gz YFZOVVRDUFYWKA-OAQYLSRUSA-N 1 1 357.461 3.962 50 30 FHEAMO C=CCN(CC=C)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012205962 210139031 /nfs/dbraw/zinc/13/90/31/210139031.db2.gz GAKLPYHMFGILJV-QFIPXVFZSA-N 1 1 372.553 3.865 50 30 FHEAMO Cc1cc(OCC(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc(C)c1Cl ZINC000004723501 263336755 /nfs/dbraw/zinc/33/67/55/263336755.db2.gz QYWRLUBZVUWLFT-UHFFFAOYSA-N 1 1 367.232 3.853 50 30 FHEAMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000060089250 518590737 /nfs/dbraw/zinc/59/07/37/518590737.db2.gz ZKVBTQVEHGBTEP-QFIPXVFZSA-N 1 1 370.468 3.938 50 30 FHEAMO C=CCNC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711386 518921340 /nfs/dbraw/zinc/92/13/40/518921340.db2.gz HNEMPCSVYQAONU-RBUKOAKNSA-N 1 1 370.443 3.873 50 30 FHEAMO COc1ccc(C(=[NH2+])NOC(=O)Nc2ccccc2)cc1OC1CCCC1 ZINC000004364247 523367969 /nfs/dbraw/zinc/36/79/69/523367969.db2.gz DPKREWRUBCQDCE-UHFFFAOYSA-N 1 1 369.421 3.886 50 30 FHEAMO Cc1cccc([C@H](C(=O)N2CCC(c3cccc(C#N)c3)CC2)[NH+](C)C)c1 ZINC000091695830 524859033 /nfs/dbraw/zinc/85/90/33/524859033.db2.gz VBNWBCOBDAZNTC-JOCHJYFZSA-N 1 1 361.489 3.876 50 30 FHEAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)CON=C2c3ccccc3-c3ccccc32)C1 ZINC000005554281 525383142 /nfs/dbraw/zinc/38/31/42/525383142.db2.gz LSCGZJZKKAPTNP-KSZLIROESA-N 1 1 364.489 3.775 50 30 FHEAMO Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)C[N@@H+](C)CC[C@@]3(C)C2)cc1 ZINC000004368171 570587351 /nfs/dbraw/zinc/58/73/51/570587351.db2.gz ORRZVXBXIVSUAD-NZSAHSFTSA-N 1 1 351.512 3.601 50 30 FHEAMO Cc1ccc(C(=O)ONC(=[NH2+])c2ccc(Br)cc2)cc1Cl ZINC000004803134 570607183 /nfs/dbraw/zinc/60/71/83/570607183.db2.gz NKEAYXTZXCQCQJ-UHFFFAOYSA-N 1 1 367.630 3.888 50 30 FHEAMO COc1c2c(cc3c1[C@H](C/C(=N/O)[C@@H]1CC=C(C)CC1)[N@@H+](C)CC3)OCO2 ZINC000033957518 570638960 /nfs/dbraw/zinc/63/89/60/570638960.db2.gz LURJWDVAWXQBDF-YFFDSABZSA-N 1 1 372.465 3.920 50 30 FHEAMO N#CC1(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)CCCC1 ZINC000014141755 570808858 /nfs/dbraw/zinc/80/88/58/570808858.db2.gz PANDDZMPOTUJED-SFHVURJKSA-N 1 1 357.454 3.519 50 30 FHEAMO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1Cl ZINC000330246140 570880286 /nfs/dbraw/zinc/88/02/86/570880286.db2.gz LBYJUTNNCSEAOB-INIZCTEOSA-N 1 1 361.873 3.938 50 30 FHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000025360186 570994925 /nfs/dbraw/zinc/99/49/25/570994925.db2.gz LTSGXQXNYYLBQI-HXUWFJFHSA-N 1 1 351.425 3.909 50 30 FHEAMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000025360186 570994927 /nfs/dbraw/zinc/99/49/27/570994927.db2.gz LTSGXQXNYYLBQI-HXUWFJFHSA-N 1 1 351.425 3.909 50 30 FHEAMO Cc1cccc(NC(=S)N2CCC([N@@H+](C)C[C@@H]3CCCO3)CC2)c1C ZINC000008672165 571054714 /nfs/dbraw/zinc/05/47/14/571054714.db2.gz AAUCERIZRHJGAI-SFHVURJKSA-N 1 1 361.555 3.796 50 30 FHEAMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)cc1 ZINC000008777085 571061488 /nfs/dbraw/zinc/06/14/88/571061488.db2.gz SREVLTHLNQGCKA-QGZVFWFLSA-N 1 1 355.463 3.794 50 30 FHEAMO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000040155762 571087308 /nfs/dbraw/zinc/08/73/08/571087308.db2.gz XWWKFKPEGCDZLH-UHFFFAOYSA-N 1 1 364.474 3.961 50 30 FHEAMO Cc1cc(N[C@@H](C)C(=O)Nc2sccc2C#N)ccc1[NH+]1CCCC1 ZINC000012507654 571173223 /nfs/dbraw/zinc/17/32/23/571173223.db2.gz FCELBWOLGLWVNN-AWEZNQCLSA-N 1 1 354.479 3.968 50 30 FHEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000008746175 571320886 /nfs/dbraw/zinc/32/08/86/571320886.db2.gz MWDFJSUOXHUPKN-UHFFFAOYSA-N 1 1 368.868 3.951 50 30 FHEAMO O=C(C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)Nc1ccc(Cl)cn1 ZINC000329078927 942241019 /nfs/dbraw/zinc/24/10/19/942241019.db2.gz QQKFKAMBQNOYIB-KZNAEPCWSA-N 1 1 371.868 3.828 50 30 FHEAMO O=C(CO[NH+]=C1CCCCCN1)Nc1ccc(Oc2ccccc2)cc1 ZINC000007060560 944993527 /nfs/dbraw/zinc/99/35/27/944993527.db2.gz MUXPRJFAUGYOSW-UHFFFAOYSA-N 1 1 353.422 3.911 50 30 FHEAMO C=CCCC(=O)N(CC)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012580377 210141369 /nfs/dbraw/zinc/14/13/69/210141369.db2.gz YWSOQDSLDSDBBK-HXUWFJFHSA-N 1 1 358.526 3.764 50 30 FHEAMO CC(C)CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000012889014 211003367 /nfs/dbraw/zinc/00/33/67/211003367.db2.gz QIZZXJNZQDDXSB-UHFFFAOYSA-N 1 1 361.489 3.916 50 30 FHEAMO C[NH+](C)Cc1cc(-c2cc(-c3cccs3)nc(N)c2C#N)ccc1O ZINC000067920436 221305260 /nfs/dbraw/zinc/30/52/60/221305260.db2.gz COCAHIUFFJUZCO-UHFFFAOYSA-N 1 1 350.447 3.698 50 30 FHEAMO C=CCn1cc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3F)C2)c(C)n1 ZINC000020539879 519278559 /nfs/dbraw/zinc/27/85/59/519278559.db2.gz HIVOEPOMQHCLDI-HXUWFJFHSA-N 1 1 356.489 3.613 50 30 FHEAMO C=CCn1cc(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c(C)n1 ZINC000020539879 519278566 /nfs/dbraw/zinc/27/85/66/519278566.db2.gz HIVOEPOMQHCLDI-HXUWFJFHSA-N 1 1 356.489 3.613 50 30 FHEAMO C=CCn1cc(CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c(C)n1 ZINC000020539879 519278573 /nfs/dbraw/zinc/27/85/73/519278573.db2.gz HIVOEPOMQHCLDI-HXUWFJFHSA-N 1 1 356.489 3.613 50 30 FHEAMO CS[C@@H]1CCC[C@H]1[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000107064690 525839960 /nfs/dbraw/zinc/83/99/60/525839960.db2.gz BJXBKVWZUYQBLC-RTBURBONSA-N 1 1 359.539 3.766 50 30 FHEAMO COc1cc2c(cc1OC)[C@H](Cc1ccc(OCCC#N)cc1)[N@@H+](C)CC2 ZINC000002500360 560187087 /nfs/dbraw/zinc/18/70/87/560187087.db2.gz AXPKCHVXKOSJDD-FQEVSTJZSA-N 1 1 366.461 3.768 50 30 biogenic,in-vitro FHEAMO COc1cc(CCC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)cc(OC)c1 ZINC000025307392 570993662 /nfs/dbraw/zinc/99/36/62/570993662.db2.gz PACDXTMNYZFGGL-LJQANCHMSA-N 1 1 355.482 3.792 50 30 FHEAMO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000072305038 571060236 /nfs/dbraw/zinc/06/02/36/571060236.db2.gz IJAXEOFHPVWMIY-UYAOXDASSA-N 1 1 356.466 3.533 50 30 FHEAMO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000072305038 571060239 /nfs/dbraw/zinc/06/02/39/571060239.db2.gz IJAXEOFHPVWMIY-UYAOXDASSA-N 1 1 356.466 3.533 50 30 FHEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](OC(C)=O)c1ccnc2ccc(OC)cc21 ZINC000252427937 571265047 /nfs/dbraw/zinc/26/50/47/571265047.db2.gz LBXIBQQYUBUMMK-LYZACZEUSA-N 1 1 366.461 3.744 50 30 FHEAMO CS[C@H]1CCC[C@@H]1[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000076089926 571274235 /nfs/dbraw/zinc/27/42/35/571274235.db2.gz BJXBKVWZUYQBLC-OALUTQOASA-N 1 1 359.539 3.766 50 30 FHEAMO Cc1nn(-c2ccccc2)c(C)c1/C=N\N1CC[NH+](Cc2ccccc2)CC1 ZINC000012372218 571294201 /nfs/dbraw/zinc/29/42/01/571294201.db2.gz FOORCIAZMIWALX-ULJHMMPZSA-N 1 1 373.504 3.641 50 30 FHEAMO CCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2ccccc2OC)cc1 ZINC000003051111 571344332 /nfs/dbraw/zinc/34/43/32/571344332.db2.gz WEDPWMDJPNNPBM-XSFVSMFZSA-N 1 1 356.495 3.862 50 30 FHEAMO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 ZINC000030590405 571346761 /nfs/dbraw/zinc/34/67/61/571346761.db2.gz HOWXJMDCBXLHCK-IBGZPJMESA-N 1 1 366.440 3.874 50 30 FHEAMO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 ZINC000030590405 571346762 /nfs/dbraw/zinc/34/67/62/571346762.db2.gz HOWXJMDCBXLHCK-IBGZPJMESA-N 1 1 366.440 3.874 50 30 FHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)CCc4ccccn4)[C@H]3C[C@@H]12 ZINC000003999761 571353734 /nfs/dbraw/zinc/35/37/34/571353734.db2.gz SFTDMSJFDWODLH-ZFVIQDPVSA-N 1 1 368.521 3.870 50 30 biogenic FHEAMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCCC[C@@H]2C)c1C#N ZINC000012527949 220002472 /nfs/dbraw/zinc/00/24/72/220002472.db2.gz OPUSPRVAFINKQH-AWEZNQCLSA-N 1 1 368.456 3.918 50 30 FHEAMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2C)c1C#N ZINC000012527949 220002476 /nfs/dbraw/zinc/00/24/76/220002476.db2.gz OPUSPRVAFINKQH-AWEZNQCLSA-N 1 1 368.456 3.918 50 30 FHEAMO C=CCc1cc(C[N@@H+](C)CCc2ccc(OC)c(OC)c2)c(O)c(OC)c1 ZINC000012883428 220039166 /nfs/dbraw/zinc/03/91/66/220039166.db2.gz VQEBDJFCHLEBSG-UHFFFAOYSA-N 1 1 371.477 3.821 50 30 FHEAMO C=CCn1c(C[N@H+](C)CC2CCCCC2)nnc1SC[C@@H]1CCCO1 ZINC000015066986 220144298 /nfs/dbraw/zinc/14/42/98/220144298.db2.gz HMLBSAZPNALFHW-KRWDZBQOSA-N 1 1 364.559 3.747 50 30 FHEAMO C=CCn1c(C[N@@H+](C)CC2CCCCC2)nnc1SC[C@@H]1CCCO1 ZINC000015066986 220144302 /nfs/dbraw/zinc/14/43/02/220144302.db2.gz HMLBSAZPNALFHW-KRWDZBQOSA-N 1 1 364.559 3.747 50 30 FHEAMO COc1c2c(cc3c1[C@@H](CC(=O)/C=C/c1ccccc1)[N@H+](C)CC3)OCO2 ZINC000020111762 220312107 /nfs/dbraw/zinc/31/21/07/220312107.db2.gz NFSAUYZGLBVYMW-GFOMBABLSA-N 1 1 365.429 3.626 50 30 FHEAMO COc1c2c(cc3c1[C@@H](CC(=O)/C=C/c1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000020111762 220312111 /nfs/dbraw/zinc/31/21/11/220312111.db2.gz NFSAUYZGLBVYMW-GFOMBABLSA-N 1 1 365.429 3.626 50 30 FHEAMO Cc1cccc(NC(=O)c2cccc(C[N@@H+](C)C[C@H]3CCCO3)c2)c1C#N ZINC000067754659 221280019 /nfs/dbraw/zinc/28/00/19/221280019.db2.gz JFZHRNKVHXNEBL-LJQANCHMSA-N 1 1 363.461 3.730 50 30 FHEAMO C=C(C)C[NH+]1CCN(c2ncnc3c2sc2nc(C)cc(C)c23)CC1 ZINC000006759717 132371526 /nfs/dbraw/zinc/37/15/26/132371526.db2.gz KWTUMNBOQRNXRY-UHFFFAOYSA-N 1 1 353.495 3.554 50 30 FHEAMO C=CCOc1c(Cl)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)cc1OCC ZINC000102676644 222303489 /nfs/dbraw/zinc/30/34/89/222303489.db2.gz MHHAXQXVYLAITM-ZSHCYNCHSA-N 1 1 351.874 3.791 50 30 FHEAMO C=CCOc1ccccc1C[N@H+]1CCC[C@H](CCC(=O)N2CCCC2)C1 ZINC000012387012 263371006 /nfs/dbraw/zinc/37/10/06/263371006.db2.gz NZOXXNFIJSQYHB-LJQANCHMSA-N 1 1 356.510 3.866 50 30 FHEAMO C=CCNC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711388 518920636 /nfs/dbraw/zinc/92/06/36/518920636.db2.gz HNEMPCSVYQAONU-RTBURBONSA-N 1 1 370.443 3.873 50 30 FHEAMO CCOc1ccc(C=NN2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1 ZINC000244858466 520931891 /nfs/dbraw/zinc/93/18/91/520931891.db2.gz VLRHMUSQPRNDPO-UHFFFAOYSA-N 1 1 351.494 3.854 50 30 FHEAMO CCOc1cccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3C)CC2)c1O ZINC000019791139 521314179 /nfs/dbraw/zinc/31/41/79/521314179.db2.gz WHMDWKFOCQGEIW-HZHRSRAPSA-N 1 1 367.493 3.559 50 30 FHEAMO COC(C)(C)CCC[C@](C)(O)C#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000248291453 522473277 /nfs/dbraw/zinc/47/32/77/522473277.db2.gz UBZDIWVELVGWPC-UNMCSNQZSA-N 1 1 358.526 3.958 50 30 FHEAMO COC(C)(C)CCC[C@](C)(O)C#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000248291453 522473284 /nfs/dbraw/zinc/47/32/84/522473284.db2.gz UBZDIWVELVGWPC-UNMCSNQZSA-N 1 1 358.526 3.958 50 30 FHEAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)cc1OC ZINC000055344266 523775439 /nfs/dbraw/zinc/77/54/39/523775439.db2.gz OUYIWMCNHRBWGN-HXUWFJFHSA-N 1 1 363.457 3.650 50 30 FHEAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)cc1OC ZINC000055344266 523775443 /nfs/dbraw/zinc/77/54/43/523775443.db2.gz OUYIWMCNHRBWGN-HXUWFJFHSA-N 1 1 363.457 3.650 50 30 FHEAMO Cc1cc(C)c(C#N)c(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)n1 ZINC000091288964 524214418 /nfs/dbraw/zinc/21/44/18/524214418.db2.gz CDVKPXXSKGZAEK-UHFFFAOYSA-N 1 1 372.476 3.594 50 30 FHEAMO O=C(CO[NH+]=C1CCCCCN1)Nc1ccc(OCc2ccccc2)cc1 ZINC000006601440 526904987 /nfs/dbraw/zinc/90/49/87/526904987.db2.gz XEZSHOAHJHQCEG-UHFFFAOYSA-N 1 1 367.449 3.698 50 30 FHEAMO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@H](C3CCC3)C2)cc1Cl ZINC000330246141 570881019 /nfs/dbraw/zinc/88/10/19/570881019.db2.gz LBYJUTNNCSEAOB-MRXNPFEDSA-N 1 1 361.873 3.938 50 30 FHEAMO CCc1cc(N2CC[C@@H](C[N@H+](C)CC)C2)n2c3ccccc3nc2c1C#N ZINC000072302148 571055682 /nfs/dbraw/zinc/05/56/82/571055682.db2.gz NDCZZNLIWIWJPJ-INIZCTEOSA-N 1 1 361.493 3.700 50 30 FHEAMO COc1cccc([C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)c1 ZINC000040033610 571069419 /nfs/dbraw/zinc/06/94/19/571069419.db2.gz XFPBIZKCLMAWDX-QGZVFWFLSA-N 1 1 355.463 3.794 50 30 FHEAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1 ZINC000095388241 571329214 /nfs/dbraw/zinc/32/92/14/571329214.db2.gz JFEZVCSEFFXGQZ-QFIPXVFZSA-N 1 1 373.500 3.900 50 30 FHEAMO C[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000008238074 571360044 /nfs/dbraw/zinc/36/00/44/571360044.db2.gz MUZUVPXHEXKZCQ-UHFFFAOYSA-N 1 1 363.339 3.527 50 30 FHEAMO C[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000008238074 571360045 /nfs/dbraw/zinc/36/00/45/571360045.db2.gz MUZUVPXHEXKZCQ-UHFFFAOYSA-N 1 1 363.339 3.527 50 30 FHEAMO C=C(C)C[N@H+](CC)[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014753195 220132820 /nfs/dbraw/zinc/13/28/20/220132820.db2.gz JWIRVPSIURLTED-SFHVURJKSA-N 1 1 372.557 3.530 50 30 FHEAMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(C(=O)Nc2ccc(C#N)nc2)cc1 ZINC000065394226 221209533 /nfs/dbraw/zinc/20/95/33/221209533.db2.gz NWBRHRNDAMNFCQ-HNNXBMFYSA-N 1 1 360.417 3.992 50 30 FHEAMO C[C@@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100220422 222239459 /nfs/dbraw/zinc/23/94/59/222239459.db2.gz LFGUOKSONBHVJF-UTQSGNFESA-N 1 1 370.365 3.745 50 30 FHEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1 ZINC000036098487 518717382 /nfs/dbraw/zinc/71/73/82/518717382.db2.gz RRLVPXDPAQGJMX-LJQANCHMSA-N 1 1 369.461 3.753 50 30 FHEAMO COC(C)(C)CCC[C@@](C)(O)C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000095346027 522472853 /nfs/dbraw/zinc/47/28/53/522472853.db2.gz UBZDIWVELVGWPC-IFMALSPDSA-N 1 1 358.526 3.958 50 30 FHEAMO COC(C)(C)CCC[C@@](C)(O)C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000095346027 522472862 /nfs/dbraw/zinc/47/28/62/522472862.db2.gz UBZDIWVELVGWPC-IFMALSPDSA-N 1 1 358.526 3.958 50 30 FHEAMO COc1ccc(C[NH+]=C(Nc2ccccc2)n2sc(C)cc2=N)cc1 ZINC000020343857 523864740 /nfs/dbraw/zinc/86/47/40/523864740.db2.gz XLLZTLPJYYDGAL-UHFFFAOYSA-N 1 1 352.463 3.862 50 30 FHEAMO N#Cc1ccccc1CN(C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000089813918 526735926 /nfs/dbraw/zinc/73/59/26/526735926.db2.gz RCGRZRJSPIPOTP-HSZRJFAPSA-N 1 1 356.473 3.669 50 30 FHEAMO N#Cc1ccccc1CN1CC[C@@H]([N@H+](Cc2ccccc2C#N)C2CC2)C1 ZINC000089813918 526735939 /nfs/dbraw/zinc/73/59/39/526735939.db2.gz RCGRZRJSPIPOTP-HSZRJFAPSA-N 1 1 356.473 3.669 50 30 FHEAMO N#Cc1ccccc1CN1CC[C@@H]([N@@H+](Cc2ccccc2C#N)C2CC2)C1 ZINC000089813918 526735942 /nfs/dbraw/zinc/73/59/42/526735942.db2.gz RCGRZRJSPIPOTP-HSZRJFAPSA-N 1 1 356.473 3.669 50 30 FHEAMO [NH2+]=C(NOC(=O)CCC1CCCCC1)c1ccc(Br)cc1 ZINC000004954666 526806400 /nfs/dbraw/zinc/80/64/00/526806400.db2.gz KWIVCQXMDHEOMI-UHFFFAOYSA-N 1 1 353.260 3.973 50 30 FHEAMO CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025230096 570992770 /nfs/dbraw/zinc/99/27/70/570992770.db2.gz GFKWWIUSSIQTQY-OAHLLOKOSA-N 1 1 364.898 3.729 50 30 FHEAMO C=CCn1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)cc3C)C2)c1C ZINC000071774419 571053011 /nfs/dbraw/zinc/05/30/11/571053011.db2.gz NHYLGPHUZDEQJX-GOSISDBHSA-N 1 1 367.493 3.789 50 30 FHEAMO Cn1cc[nH+]c1N1CCC(NC(=O)CCc2cc(Cl)cs2)CC1 ZINC000328751779 942038880 /nfs/dbraw/zinc/03/88/80/942038880.db2.gz NEATZOISSRIDFY-UHFFFAOYSA-N 1 1 352.891 3.693 50 30 FHEAMO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@H+](C)CCCC)C2 ZINC000014543201 220126375 /nfs/dbraw/zinc/12/63/75/220126375.db2.gz FPSHIHNQQGRZKH-SFHVURJKSA-N 1 1 372.557 3.675 50 30 FHEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 ZINC000019882203 220303836 /nfs/dbraw/zinc/30/38/36/220303836.db2.gz PPSVWPVMRLUHQD-FYJGNVAPSA-N 1 1 372.856 3.708 50 30 FHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4C[C@@H](C)C(=O)C[C@@H]4C)[C@H]3C[C@@H]12 ZINC000061991160 221138190 /nfs/dbraw/zinc/13/81/90/221138190.db2.gz MIVSQBNBIGTKAZ-QLMDLOKJSA-N 1 1 359.510 3.600 50 30 FHEAMO [NH2+]=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004725424 263336384 /nfs/dbraw/zinc/33/63/84/263336384.db2.gz VVSGBLAFMVCRMF-UHFFFAOYSA-N 1 1 368.176 3.573 50 30 FHEAMO C=C(C)COc1cccc(C[N@@H+](C)C[C@H]2CC(=O)N(C3CCCC3)C2)c1 ZINC000055107868 518619540 /nfs/dbraw/zinc/61/95/40/518619540.db2.gz SSAWOGYLHKUBDG-LJQANCHMSA-N 1 1 356.510 3.864 50 30 FHEAMO OCCC#Cc1ccc(C[N@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cc1 ZINC000015074878 527530299 /nfs/dbraw/zinc/53/02/99/527530299.db2.gz DMEJVUASLYUXDI-HXUWFJFHSA-N 1 1 370.443 3.775 50 30 FHEAMO N#CC1(c2ccccc2)CC[NH+](Cc2cnc(N3CCCC3)s2)CC1 ZINC000216140105 568107986 /nfs/dbraw/zinc/10/79/86/568107986.db2.gz AZSNRCHGLAOFNA-UHFFFAOYSA-N 1 1 352.507 3.801 50 30 FHEAMO N#Cc1cccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072144697 570525875 /nfs/dbraw/zinc/52/58/75/570525875.db2.gz LRCIORZBLBQKJE-DNVJHFABSA-N 1 1 361.464 3.760 50 30 FHEAMO N#CC1(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CCCC1 ZINC000014141754 570808875 /nfs/dbraw/zinc/80/88/75/570808875.db2.gz PANDDZMPOTUJED-GOSISDBHSA-N 1 1 357.454 3.519 50 30 FHEAMO COc1cc(CCC2CC[NH+](C[C@H](C#N)CCC#N)CC2)cc(OC)c1 ZINC000025307388 570993704 /nfs/dbraw/zinc/99/37/04/570993704.db2.gz PACDXTMNYZFGGL-IBGZPJMESA-N 1 1 355.482 3.792 50 30 FHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000025360182 570994811 /nfs/dbraw/zinc/99/48/11/570994811.db2.gz LTSGXQXNYYLBQI-FQEVSTJZSA-N 1 1 351.425 3.909 50 30 FHEAMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000025360182 570994816 /nfs/dbraw/zinc/99/48/16/570994816.db2.gz LTSGXQXNYYLBQI-FQEVSTJZSA-N 1 1 351.425 3.909 50 30 FHEAMO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1ccc(C#CC(C)(C)O)s1 ZINC000055168942 571058062 /nfs/dbraw/zinc/05/80/62/571058062.db2.gz WQUZANRATFBZPD-INIZCTEOSA-N 1 1 363.548 3.705 50 30 FHEAMO C=CCCC(=O)N(CC)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012580385 571118415 /nfs/dbraw/zinc/11/84/15/571118415.db2.gz YWSOQDSLDSDBBK-FQEVSTJZSA-N 1 1 358.526 3.764 50 30 FHEAMO COc1ccc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000036274440 571246363 /nfs/dbraw/zinc/24/63/63/571246363.db2.gz JACZQYQYJWAVTG-FRKCRFBYSA-N 1 1 363.461 3.852 50 30 FHEAMO COc1ccc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000036274440 571246364 /nfs/dbraw/zinc/24/63/64/571246364.db2.gz JACZQYQYJWAVTG-FRKCRFBYSA-N 1 1 363.461 3.852 50 30 FHEAMO CN(C)c1ccc(CN=Nc2cncc([C@@H](C#N)c3ccccc3)n2)cc1 ZINC000252600767 571284563 /nfs/dbraw/zinc/28/45/63/571284563.db2.gz DUQKHLJZEIEDSL-IBGZPJMESA-N 1 1 356.433 3.644 50 30 FHEAMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(-c3ccc(F)c(C#N)c3)cc2)C1 ZINC000426381448 571322026 /nfs/dbraw/zinc/32/20/26/571322026.db2.gz MIPORLOIPGNCQJ-INIZCTEOSA-N 1 1 365.452 3.826 50 30 FHEAMO N#Cc1cccnc1-c1cccc(C(=O)NC[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000426396354 571322044 /nfs/dbraw/zinc/32/20/44/571322044.db2.gz FKAFQXXISPBKBO-KRWDZBQOSA-N 1 1 374.488 3.615 50 30 FHEAMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3cccc(C#N)c3)cc1)C2 ZINC000426518278 571322158 /nfs/dbraw/zinc/32/21/58/571322158.db2.gz ICGHPDLONUQNKA-QHCPKHFHSA-N 1 1 359.473 3.783 50 30 FHEAMO C[N@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccccc1C#N)CC2 ZINC000095503696 571331174 /nfs/dbraw/zinc/33/11/74/571331174.db2.gz QQCDKRIVRZQZGH-FQEVSTJZSA-N 1 1 359.473 3.652 50 30 FHEAMO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1 ZINC000030590403 571346750 /nfs/dbraw/zinc/34/67/50/571346750.db2.gz HOWXJMDCBXLHCK-LJQANCHMSA-N 1 1 366.440 3.874 50 30 FHEAMO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1 ZINC000030590403 571346751 /nfs/dbraw/zinc/34/67/51/571346751.db2.gz HOWXJMDCBXLHCK-LJQANCHMSA-N 1 1 366.440 3.874 50 30 FHEAMO C=C(C)C[NH+]1CCN(c2nc3ccccc3c(NCc3ccco3)n2)CC1 ZINC000004865648 947380579 /nfs/dbraw/zinc/38/05/79/947380579.db2.gz RLBXKGMQHYUJSJ-UHFFFAOYSA-N 1 1 363.465 3.533 50 30 FHEAMO Cc1cccc(-c2nc(C#N)c(N3CC[NH+](Cc4ccccc4)CC3)o2)c1 ZINC000054061440 221049130 /nfs/dbraw/zinc/04/91/30/221049130.db2.gz NNQAVTGAYXFODD-UHFFFAOYSA-N 1 1 358.445 3.844 50 30 FHEAMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nncn3Cc3ccccc3)C2)cc1 ZINC000065287803 221196271 /nfs/dbraw/zinc/19/62/71/221196271.db2.gz SASNVZIZIVSPEY-NRFANRHFSA-N 1 1 357.461 3.578 50 30 FHEAMO OCC#Cc1csc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000065460625 221222123 /nfs/dbraw/zinc/22/21/23/221222123.db2.gz DEBJJXQOLNYWFI-MRXNPFEDSA-N 1 1 352.459 3.613 50 30 FHEAMO COC[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)Nc2sccc2C#N)c1 ZINC000067726369 221277594 /nfs/dbraw/zinc/27/75/94/221277594.db2.gz LNAVXNLHYHLXKT-GOSISDBHSA-N 1 1 369.490 3.873 50 30 FHEAMO Cc1ccc(-c2cc(-c3cccc(C[NH+]4CCOCC4)c3)c(C#N)c(N)n2)o1 ZINC000067817941 221289750 /nfs/dbraw/zinc/28/97/50/221289750.db2.gz BJZSCNYXLADHQA-UHFFFAOYSA-N 1 1 374.444 3.603 50 30 FHEAMO N#Cc1ccnc(N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)c1 ZINC000426700086 263659925 /nfs/dbraw/zinc/65/99/25/263659925.db2.gz RUXGCLYMOWVKHR-OAQYLSRUSA-N 1 1 368.431 3.724 50 30 FHEAMO N#Cc1ccnc(N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)c1 ZINC000426700086 263659926 /nfs/dbraw/zinc/65/99/26/263659926.db2.gz RUXGCLYMOWVKHR-OAQYLSRUSA-N 1 1 368.431 3.724 50 30 FHEAMO CCOc1ccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OC ZINC000025329322 520852327 /nfs/dbraw/zinc/85/23/27/520852327.db2.gz FRDLROIETYLLGW-XQNSMLJCSA-N 1 1 367.493 3.554 50 30 FHEAMO COc1cc2c(cc1OC)[C@@H](Cc1ccc(OCCC#N)cc1)[N@@H+](C)CC2 ZINC000002500357 560187110 /nfs/dbraw/zinc/18/71/10/560187110.db2.gz AXPKCHVXKOSJDD-HXUWFJFHSA-N 1 1 366.461 3.768 50 30 biogenic,in-vitro FHEAMO Cc1cccnc1CN1CC[NH+](Cc2ccc(-c3ccccc3C#N)o2)CC1 ZINC000072129524 570525860 /nfs/dbraw/zinc/52/58/60/570525860.db2.gz FQGDYZVGWKLMTJ-UHFFFAOYSA-N 1 1 372.472 3.840 50 30 FHEAMO C[C@@H]1/C(=N\O)C[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000137171541 570624877 /nfs/dbraw/zinc/62/48/77/570624877.db2.gz LFGUOKSONBHVJF-IKAAQNAXSA-N 1 1 370.365 3.745 50 30 FHEAMO O=C(NCC#CC[N@@H+]1CCc2ccccc2C1)Nc1cccc(Cl)c1 ZINC000075165057 571157392 /nfs/dbraw/zinc/15/73/92/571157392.db2.gz SWODSZSBNWFIJV-UHFFFAOYSA-N 1 1 353.853 3.523 50 30 FHEAMO O=C(NCC#CC[N@H+]1CCc2ccccc2C1)Nc1cccc(Cl)c1 ZINC000075165057 571157393 /nfs/dbraw/zinc/15/73/93/571157393.db2.gz SWODSZSBNWFIJV-UHFFFAOYSA-N 1 1 353.853 3.523 50 30 FHEAMO CC[N@H+](CCOc1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076089759 571274263 /nfs/dbraw/zinc/27/42/63/571274263.db2.gz QYBZHEASSIVDSL-JOCHJYFZSA-N 1 1 363.505 3.781 50 30 FHEAMO CC[N@@H+](CCOc1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076089759 571274264 /nfs/dbraw/zinc/27/42/64/571274264.db2.gz QYBZHEASSIVDSL-JOCHJYFZSA-N 1 1 363.505 3.781 50 30 FHEAMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCCN(Cc3cccnc3)CC2)o1 ZINC000216233068 571342226 /nfs/dbraw/zinc/34/22/26/571342226.db2.gz GNKXXRHSAGQYFF-UHFFFAOYSA-N 1 1 372.472 3.921 50 30 FHEAMO CCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2ccc(OC)cc2)cc1 ZINC000003036955 571343891 /nfs/dbraw/zinc/34/38/91/571343891.db2.gz UXYAOPUGGQVDQQ-XSFVSMFZSA-N 1 1 356.495 3.862 50 30 FHEAMO Cc1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000007975373 571357722 /nfs/dbraw/zinc/35/77/22/571357722.db2.gz XHTKBEUATFVGJI-UHFFFAOYSA-N 1 1 357.479 3.861 50 30 FHEAMO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000012787122 220029062 /nfs/dbraw/zinc/02/90/62/220029062.db2.gz DXLXPUNTCCYFOT-UHFFFAOYSA-N 1 1 369.852 3.735 50 30 FHEAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)Cc4ccccc4)[C@H]3[C@@H]3O[C@]312 ZINC000012881370 220038685 /nfs/dbraw/zinc/03/86/85/220038685.db2.gz GUEMLDIJFWCIGQ-ADPNAPNMSA-N 1 1 369.505 3.644 50 30 FHEAMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 ZINC000012935034 220045714 /nfs/dbraw/zinc/04/57/14/220045714.db2.gz HSMHVTUMIMDKCI-UHFFFAOYSA-N 1 1 371.843 3.699 50 30 FHEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 ZINC000012935034 220045716 /nfs/dbraw/zinc/04/57/16/220045716.db2.gz HSMHVTUMIMDKCI-UHFFFAOYSA-N 1 1 371.843 3.699 50 30 FHEAMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccco1 ZINC000014094597 220106286 /nfs/dbraw/zinc/10/62/86/220106286.db2.gz IDKYJZXIRWGWBS-UHFFFAOYSA-N 1 1 357.479 3.942 50 30 FHEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 ZINC000019826041 220301816 /nfs/dbraw/zinc/30/18/16/220301816.db2.gz IJGDMKKJKYZMNX-FYJGNVAPSA-N 1 1 372.856 3.708 50 30 FHEAMO OCC#Cc1csc(C[N@H+]2CCC[C@]3(C=Cc4ccccc4O3)CC2)c1 ZINC000065398811 221211771 /nfs/dbraw/zinc/21/17/71/221211771.db2.gz BIEWXULVHWHNMY-QFIPXVFZSA-N 1 1 365.498 3.922 50 30 FHEAMO CC(C)[C@H]1CN(c2ccc(C#N)cn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071756975 221365362 /nfs/dbraw/zinc/36/53/62/221365362.db2.gz NMMJNXNSJJWUML-HXUWFJFHSA-N 1 1 352.457 3.829 50 30 FHEAMO [NH2+]=C1NC(N=Nc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21 ZINC000100431895 222243626 /nfs/dbraw/zinc/24/36/26/222243626.db2.gz OLVORKOOPWSYGY-UHFFFAOYSA-N 1 1 353.838 3.956 50 30 FHEAMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](CCC(=O)N2CCCC2)C1 ZINC000012387011 263370925 /nfs/dbraw/zinc/37/09/25/263370925.db2.gz NZOXXNFIJSQYHB-IBGZPJMESA-N 1 1 356.510 3.866 50 30 FHEAMO Cc1ccsc1C=CC(=O)ONC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC000004323999 525816587 /nfs/dbraw/zinc/81/65/87/525816587.db2.gz SPBYULIKGRUEAF-VOTSOKGWSA-N 1 1 354.353 3.952 50 30 FHEAMO C[C@H](Oc1cccc(Cl)c1)C(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004978567 525948070 /nfs/dbraw/zinc/94/80/70/525948070.db2.gz JEAQWLPBCGTUJU-JTQLQIEISA-N 1 1 353.205 3.624 50 30 FHEAMO N#CC1(NC(=O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)CCCC1 ZINC000032777453 526434522 /nfs/dbraw/zinc/43/45/22/526434522.db2.gz LVNUZZBWXUYKGL-UHFFFAOYSA-N 1 1 365.399 3.622 50 30 FHEAMO N#CC1(NC(=O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)CCCC1 ZINC000032777453 526434528 /nfs/dbraw/zinc/43/45/28/526434528.db2.gz LVNUZZBWXUYKGL-UHFFFAOYSA-N 1 1 365.399 3.622 50 30 FHEAMO [NH2+]=C(NOC(=O)COc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000004690689 526809123 /nfs/dbraw/zinc/80/91/23/526809123.db2.gz KXDZWABHZZYQIB-UHFFFAOYSA-N 1 1 354.793 3.736 50 30 FHEAMO COc1cccc([C@H]2C[N@@H+](Cc3cccc(C#N)c3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072143607 570525926 /nfs/dbraw/zinc/52/59/26/570525926.db2.gz MDJRYANARFVZMD-WXFUMESZSA-N 1 1 373.500 3.629 50 30 FHEAMO COc1cc2c(cc1OC)[C@@H]1C/C(=N\OC(C)=O)[C@@H](CC(C)C)C[N@H+]1CC2 ZINC000033741567 570580693 /nfs/dbraw/zinc/58/06/93/570580693.db2.gz HAPOKUSVNOKHRF-HREXAKDCSA-N 1 1 374.481 3.588 50 30 FHEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000008746176 571320854 /nfs/dbraw/zinc/32/08/54/571320854.db2.gz BNXCVZQWAFLCJQ-UHFFFAOYSA-N 1 1 368.868 3.951 50 30 FHEAMO N#Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095378820 571329081 /nfs/dbraw/zinc/32/90/81/571329081.db2.gz XXVMJSFILQVQDK-YTFSRNRJSA-N 1 1 361.464 3.760 50 30 FHEAMO Cc1cnc(-c2cccnc2)n1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000581807452 940608699 /nfs/dbraw/zinc/60/86/99/940608699.db2.gz NGAZIOODZQZYHN-NRFANRHFSA-N 1 1 357.461 3.962 50 30 FHEAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cc(C4CC4)[nH]n3)cc2)C[C@@H](C)O1 ZINC000328930909 942226411 /nfs/dbraw/zinc/22/64/11/942226411.db2.gz HQPAOENSHJDXNX-ZIAGYGMSSA-N 1 1 354.454 3.533 50 30 FHEAMO C=CCOc1ccc(C[N@H+](C)Cn2c3ccc(Cl)cc3oc2=O)cc1 ZINC000012925115 220044493 /nfs/dbraw/zinc/04/44/93/220044493.db2.gz DLFZKIVXWTVEAB-UHFFFAOYSA-N 1 1 358.825 3.902 50 30 FHEAMO C=CCOc1ccc(C[N@@H+](C)Cn2c3ccc(Cl)cc3oc2=O)cc1 ZINC000012925115 220044494 /nfs/dbraw/zinc/04/44/94/220044494.db2.gz DLFZKIVXWTVEAB-UHFFFAOYSA-N 1 1 358.825 3.902 50 30 FHEAMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(C#N)CC2)cc1 ZINC000057993102 221096728 /nfs/dbraw/zinc/09/67/28/221096728.db2.gz NLQVPRJQLCSIHJ-KRWDZBQOSA-N 1 1 354.498 3.506 50 30 FHEAMO OCC#Cc1csc(C[N@H+]2CCC[C@@]3(C=Cc4ccccc4O3)CC2)c1 ZINC000065398812 221212149 /nfs/dbraw/zinc/21/21/49/221212149.db2.gz BIEWXULVHWHNMY-JOCHJYFZSA-N 1 1 365.498 3.922 50 30 FHEAMO C=CCn1cc(-c2c(-c3ccccc3)ncn2C[C@H]2CC[N@H+](C)C2)c(C)n1 ZINC000065418562 221215457 /nfs/dbraw/zinc/21/54/57/221215457.db2.gz NGDRKECPSLXWFS-SFHVURJKSA-N 1 1 361.493 3.860 50 30 FHEAMO COc1ccc(Cl)c(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@@H+]2C)c1F ZINC000071479702 221350782 /nfs/dbraw/zinc/35/07/82/221350782.db2.gz HGDVIEZTLSJKLR-TVQRCGJNSA-N 1 1 372.831 3.695 50 30 FHEAMO COc1ccc(Cl)c(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)c1F ZINC000071479702 221350784 /nfs/dbraw/zinc/35/07/84/221350784.db2.gz HGDVIEZTLSJKLR-TVQRCGJNSA-N 1 1 372.831 3.695 50 30 FHEAMO C=CCOc1c(Br)cc(C[NH2+]Cc2ccco2)cc1OC ZINC000004868493 519001631 /nfs/dbraw/zinc/00/16/31/519001631.db2.gz RLWHMVAISPRPSI-UHFFFAOYSA-N 1 1 352.228 3.905 50 30 FHEAMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000032759212 519031994 /nfs/dbraw/zinc/03/19/94/519031994.db2.gz YIFKSLHYRGQXLM-CQSZACIVSA-N 1 1 359.857 3.759 50 30 FHEAMO C=CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000032759212 519032002 /nfs/dbraw/zinc/03/20/02/519032002.db2.gz YIFKSLHYRGQXLM-CQSZACIVSA-N 1 1 359.857 3.759 50 30 FHEAMO CCC[N@@H+](CC#Cc1ccccc1)Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000055369669 521523441 /nfs/dbraw/zinc/52/34/41/521523441.db2.gz LCWRYHDBVKQVIM-UHFFFAOYSA-N 1 1 373.500 3.748 50 30 FHEAMO COc1ccc(CC/[NH+]=C2/SCCN2CC(=O)c2ccc(F)cc2)cc1 ZINC000003289629 523914548 /nfs/dbraw/zinc/91/45/48/523914548.db2.gz HKJSYDVEAQQSJB-LSDHQDQOSA-N 1 1 372.465 3.665 50 30 FHEAMO N#Cc1ccccc1CN(C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000089813917 526735549 /nfs/dbraw/zinc/73/55/49/526735549.db2.gz RCGRZRJSPIPOTP-QHCPKHFHSA-N 1 1 356.473 3.669 50 30 FHEAMO N#Cc1ccccc1CN1CC[C@H]([N@H+](Cc2ccccc2C#N)C2CC2)C1 ZINC000089813917 526735556 /nfs/dbraw/zinc/73/55/56/526735556.db2.gz RCGRZRJSPIPOTP-QHCPKHFHSA-N 1 1 356.473 3.669 50 30 FHEAMO N#Cc1ccccc1CN1CC[C@H]([N@@H+](Cc2ccccc2C#N)C2CC2)C1 ZINC000089813917 526735559 /nfs/dbraw/zinc/73/55/59/526735559.db2.gz RCGRZRJSPIPOTP-QHCPKHFHSA-N 1 1 356.473 3.669 50 30 FHEAMO C=Cc1cccc(-c2c(C#N)c(N)nc3c2C[N@H+](Cc2cccnc2)CC3)c1 ZINC000072167022 570526366 /nfs/dbraw/zinc/52/63/66/570526366.db2.gz IEWNQJNLAGELAT-UHFFFAOYSA-N 1 1 367.456 3.799 50 30 FHEAMO C=Cc1cccc(-c2c(C#N)c(N)nc3c2C[N@@H+](Cc2cccnc2)CC3)c1 ZINC000072167022 570526367 /nfs/dbraw/zinc/52/63/67/570526367.db2.gz IEWNQJNLAGELAT-UHFFFAOYSA-N 1 1 367.456 3.799 50 30 FHEAMO [NH2+]=C(NOC(=O)c1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000004910020 570613289 /nfs/dbraw/zinc/61/32/89/570613289.db2.gz OPOCLLDRZNJTOJ-UHFFFAOYSA-N 1 1 353.603 3.580 50 30 FHEAMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000023220071 570959457 /nfs/dbraw/zinc/95/94/57/570959457.db2.gz BKZHKCXQEHTTQR-GUYCJALGSA-N 1 1 355.404 3.580 50 30 FHEAMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000023220071 570959463 /nfs/dbraw/zinc/95/94/63/570959463.db2.gz BKZHKCXQEHTTQR-GUYCJALGSA-N 1 1 355.404 3.580 50 30 FHEAMO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000055153329 571058086 /nfs/dbraw/zinc/05/80/86/571058086.db2.gz MGUVVMSWABHOJR-GOSISDBHSA-N 1 1 351.421 3.781 50 30 FHEAMO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000055153329 571058089 /nfs/dbraw/zinc/05/80/89/571058089.db2.gz MGUVVMSWABHOJR-GOSISDBHSA-N 1 1 351.421 3.781 50 30 FHEAMO COc1cc2c(cc1OC)C(=[NH+]NC1=CC(=O)CC(C)(C)C1)NC(C)(C)C2 ZINC000003672470 571187259 /nfs/dbraw/zinc/18/72/59/571187259.db2.gz AEOFRCZLIOVQRN-OEAKJJBVSA-N 1 1 371.481 3.993 50 30 FHEAMO N#Cc1ccccc1C[NH+]1CCC(OC(=O)Cc2ccccc2Cl)CC1 ZINC000170629746 571269657 /nfs/dbraw/zinc/26/96/57/571269657.db2.gz GOTWOMNPCGOHEJ-UHFFFAOYSA-N 1 1 368.864 3.962 50 30 FHEAMO CO[C@]12CC[N@@H+](Cc3cccc(C#N)c3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426425490 571322077 /nfs/dbraw/zinc/32/20/77/571322077.db2.gz SLBLVKDYCGHCOR-JAXLGGSGSA-N 1 1 363.461 3.544 50 30 FHEAMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2nccn2Cc2cscn2)C1 ZINC000095386812 571329176 /nfs/dbraw/zinc/32/91/76/571329176.db2.gz ILOWWZVAULOYDL-GOSISDBHSA-N 1 1 363.490 3.639 50 30 FHEAMO COc1c2c(cc3c1[C@@H](C/C(CCC=C(C)C)=N/O)[N@@H+](C)CC3)OCO2 ZINC000004030013 571354231 /nfs/dbraw/zinc/35/42/31/571354231.db2.gz ZWCOOCOWDXKMES-GXPOEHQZSA-N 1 1 360.454 3.920 50 30 biogenic FHEAMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc(Cl)c3ncccc23)CC1 ZINC000328668600 941956927 /nfs/dbraw/zinc/95/69/27/941956927.db2.gz FFBJYVZDGYZPMW-UHFFFAOYSA-N 1 1 369.856 3.595 50 30 FHEAMO Cn1c2ccccc2c(C#N)c1CN(C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC000000862822 219332612 /nfs/dbraw/zinc/33/26/12/219332612.db2.gz BQAUWIYXTPIKRA-UHFFFAOYSA-N 1 1 372.472 3.679 50 30 FHEAMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000048308617 221006405 /nfs/dbraw/zinc/00/64/05/221006405.db2.gz HAVNLCXNIXFXRF-AWEZNQCLSA-N 1 1 351.855 3.852 50 30 FHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4C[C@@H](C)C(=O)C[C@H]4C)[C@H]3C[C@@H]12 ZINC000061991158 221138040 /nfs/dbraw/zinc/13/80/40/221138040.db2.gz MIVSQBNBIGTKAZ-QNHDLEJQSA-N 1 1 359.510 3.600 50 30 FHEAMO Cc1cnccc1C[N@@H+](C)Cc1ccc(C(=O)Nc2ccc(C#N)nc2)cc1 ZINC000065417820 221216087 /nfs/dbraw/zinc/21/60/87/221216087.db2.gz MCMIAQABJDSLSG-UHFFFAOYSA-N 1 1 371.444 3.541 50 30 FHEAMO CCOC(=O)N1CC[NH+](CCC[C@@](C#N)(c2ccccc2C)C(C)C)CC1 ZINC000071782650 221377029 /nfs/dbraw/zinc/37/70/29/221377029.db2.gz MKJGCXRAZMAYQK-QFIPXVFZSA-N 1 1 371.525 3.967 50 30 FHEAMO C/C(=N/N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000019771886 263376195 /nfs/dbraw/zinc/37/61/95/263376195.db2.gz HZYPLSBPUQVTDH-PGMHBOJBSA-N 1 1 372.310 3.991 50 30 FHEAMO C=CCSc1nnc([C@@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)n1C ZINC000020271236 519090257 /nfs/dbraw/zinc/09/02/57/519090257.db2.gz LBUPVWHKPAHXPX-JGZYNSJSSA-N 1 1 354.523 3.986 50 30 FHEAMO CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072165227 570526374 /nfs/dbraw/zinc/52/63/74/570526374.db2.gz IJJXUJKZPAAZPP-LJQANCHMSA-N 1 1 366.440 3.826 50 30 FHEAMO CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072165227 570526375 /nfs/dbraw/zinc/52/63/75/570526375.db2.gz IJJXUJKZPAAZPP-LJQANCHMSA-N 1 1 366.440 3.826 50 30 FHEAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072156118 570526520 /nfs/dbraw/zinc/52/65/20/570526520.db2.gz RORJCUQIMACIIZ-QPTUXGOLSA-N 1 1 373.500 3.629 50 30 FHEAMO Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)C[N@@H+](C)CC[C@@]3(C)C2)cc1 ZINC000004368174 570587467 /nfs/dbraw/zinc/58/74/67/570587467.db2.gz ORRZVXBXIVSUAD-NEWSRXKRSA-N 1 1 351.512 3.601 50 30 FHEAMO [NH2+]=C(NOC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000005091378 570620915 /nfs/dbraw/zinc/62/09/15/570620915.db2.gz KBFUBEUTUNKHDF-UHFFFAOYSA-N 1 1 353.603 3.580 50 30 FHEAMO C=CC[NH+](CC=C)Cc1c(C)[nH]c2ccc(C(=O)OCCC)cc2c1=O ZINC000008717191 571057001 /nfs/dbraw/zinc/05/70/01/571057001.db2.gz SGYWRPNHMWMFMI-UHFFFAOYSA-N 1 1 354.450 3.990 50 30 FHEAMO CCc1nc(C)c(-c2cc(-c3cc(C[NH+](C)C)cs3)nc(N)c2C#N)[nH]1 ZINC000071754539 571080193 /nfs/dbraw/zinc/08/01/93/571080193.db2.gz VYLVMUBUNKSRGB-UHFFFAOYSA-N 1 1 366.494 3.587 50 30 FHEAMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(-c3ccc(F)c(C#N)c3)cc2)C1 ZINC000426381449 571322073 /nfs/dbraw/zinc/32/20/73/571322073.db2.gz MIPORLOIPGNCQJ-MRXNPFEDSA-N 1 1 365.452 3.826 50 30 FHEAMO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1 ZINC000095388240 571329198 /nfs/dbraw/zinc/32/91/98/571329198.db2.gz JFEZVCSEFFXGQZ-JOCHJYFZSA-N 1 1 373.500 3.900 50 30 FHEAMO C[N@H+](Cc1ccccc1)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]21 ZINC000004073461 571354749 /nfs/dbraw/zinc/35/47/49/571354749.db2.gz QLVBIAQQOPHQOC-MTMVXOAJSA-N 1 1 369.505 3.645 50 30 biogenic FHEAMO Cc1cnc(C2CCOCC2)n1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000257186285 942598338 /nfs/dbraw/zinc/59/83/38/942598338.db2.gz KGTPAMIMEITEEG-NRFANRHFSA-N 1 1 364.493 3.794 50 30 FHEAMO CCC1([C@](O)(C#CC[N@@H+](CCO)C(C)(C)C)c2ccccc2)CCCC1 ZINC000002287399 219435707 /nfs/dbraw/zinc/43/57/07/219435707.db2.gz CJJYLXAXGQLGEN-QHCPKHFHSA-N 1 1 357.538 3.941 50 30 FHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)CCc4ccccn4)[C@H]3C[C@H]12 ZINC000012661646 220016599 /nfs/dbraw/zinc/01/65/99/220016599.db2.gz SFTDMSJFDWODLH-AIDNLNPPSA-N 1 1 368.521 3.870 50 30 FHEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cccc(Br)c3)CC2)cc1 ZINC000020171858 220318529 /nfs/dbraw/zinc/31/85/29/220318529.db2.gz IIEOAQAMKHLNTE-KGENOOAVSA-N 1 1 372.310 3.909 50 30 FHEAMO C(=N\N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)\c1ccccn1 ZINC000022078536 220377406 /nfs/dbraw/zinc/37/74/06/220377406.db2.gz ZKFVCFICTZUOGA-PLRJNAJWSA-N 1 1 356.473 3.823 50 30 FHEAMO C=CCOc1ccccc1C[N@@H+](CC)Cc1cc(OC)c(O)c(OC)c1 ZINC000055154647 221059771 /nfs/dbraw/zinc/05/97/71/221059771.db2.gz WGTNWEHVQSVVHI-UHFFFAOYSA-N 1 1 357.450 3.996 50 30 FHEAMO N#Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000062580331 221141158 /nfs/dbraw/zinc/14/11/58/221141158.db2.gz ZKHRBEMKXVXXDD-IBGZPJMESA-N 1 1 373.378 3.951 50 30 FHEAMO N#Cc1c(N)nc2c(c1-c1ccc(O)cc1)C[N@@H+](CCc1ccccc1)CC2 ZINC000071746776 221359734 /nfs/dbraw/zinc/35/97/34/221359734.db2.gz QBUXOPBUMDRBIE-UHFFFAOYSA-N 1 1 370.456 3.509 50 30 FHEAMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000097491926 222184480 /nfs/dbraw/zinc/18/44/80/222184480.db2.gz WQLHMHGAEYKJJY-SFHVURJKSA-N 1 1 371.843 3.996 50 30 FHEAMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000097491926 222184484 /nfs/dbraw/zinc/18/44/84/222184484.db2.gz WQLHMHGAEYKJJY-SFHVURJKSA-N 1 1 371.843 3.996 50 30 FHEAMO Cc1cc(OCC(=O)ONC(=[NH2+])c2ccc(Cl)cc2)ccc1Cl ZINC000004725341 263336614 /nfs/dbraw/zinc/33/66/14/263336614.db2.gz WCGIKCDXBNNMKF-UHFFFAOYSA-N 1 1 353.205 3.544 50 30 FHEAMO [NH2+]=C(NOC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000004725373 263336711 /nfs/dbraw/zinc/33/67/11/263336711.db2.gz JUYICZAWQPDQTD-UHFFFAOYSA-N 1 1 373.623 3.889 50 30 FHEAMO Brc1cccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019771486 263375930 /nfs/dbraw/zinc/37/59/30/263375930.db2.gz RMVJSHOIENRKIK-XSFVSMFZSA-N 1 1 358.283 3.601 50 30 FHEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)CCc4ccccn4)[C@H]3C[C@@H]12 ZINC000035361868 263398402 /nfs/dbraw/zinc/39/84/02/263398402.db2.gz SFTDMSJFDWODLH-DLBZZEGUSA-N 1 1 368.521 3.870 50 30 FHEAMO C=CCC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103159 518726064 /nfs/dbraw/zinc/72/60/64/518726064.db2.gz APARHHCPAXKCFK-SFHVURJKSA-N 1 1 357.425 3.884 50 30 FHEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103159 518726067 /nfs/dbraw/zinc/72/60/67/518726067.db2.gz APARHHCPAXKCFK-SFHVURJKSA-N 1 1 357.425 3.884 50 30 FHEAMO C=CCc1ccccc1OCc1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000028233704 519146484 /nfs/dbraw/zinc/14/64/84/519146484.db2.gz UXJUVPUECJJGDK-SFHVURJKSA-N 1 1 366.461 3.507 50 30 FHEAMO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3C#N)o1)C2 ZINC000091602895 521700891 /nfs/dbraw/zinc/70/08/91/521700891.db2.gz UZOZVDKIIUJGEQ-ZWKOTPCHSA-N 1 1 363.461 3.651 50 30 FHEAMO COc1ccc(Cl)cc1NC(=O)NCC#CC[N@@H+](C)Cc1ccccc1 ZINC000085470652 524235477 /nfs/dbraw/zinc/23/54/77/524235477.db2.gz JYUQTCRMYGKXIW-UHFFFAOYSA-N 1 1 371.868 3.606 50 30 FHEAMO [NH2+]=C(NOC(=O)CCCc1ccccc1)c1ccc(Br)cc1 ZINC000004755220 526806959 /nfs/dbraw/zinc/80/69/59/526806959.db2.gz VSBUURBVOWBFJQ-UHFFFAOYSA-N 1 1 361.239 3.636 50 30 FHEAMO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c(C)n1 ZINC000329413308 570612979 /nfs/dbraw/zinc/61/29/79/570612979.db2.gz DSKMAEVJWAWXAR-RTBURBONSA-N 1 1 374.435 3.900 50 30 FHEAMO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c(C)n1 ZINC000329413308 570612980 /nfs/dbraw/zinc/61/29/80/570612980.db2.gz DSKMAEVJWAWXAR-RTBURBONSA-N 1 1 374.435 3.900 50 30 FHEAMO C[C@@H]1/C(=N/O)C[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004344351 570750504 /nfs/dbraw/zinc/75/05/04/570750504.db2.gz LFGUOKSONBHVJF-PXCXGESLSA-N 1 1 370.365 3.745 50 30 FHEAMO N#Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)nc3ccccc32)cc1 ZINC000011183126 571133615 /nfs/dbraw/zinc/13/36/15/571133615.db2.gz UQMNGPWTDDICBP-UHFFFAOYSA-N 1 1 371.444 3.740 50 30 FHEAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cccc(C#N)c2)C3)cc1 ZINC000091526437 571319029 /nfs/dbraw/zinc/31/90/29/571319029.db2.gz OZZYSFDGYGYQFU-FCHUYYIVSA-N 1 1 361.489 3.663 50 30 FHEAMO COc1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3cccc(C#N)c3)C2)cc1 ZINC000091526437 571319030 /nfs/dbraw/zinc/31/90/30/571319030.db2.gz OZZYSFDGYGYQFU-FCHUYYIVSA-N 1 1 361.489 3.663 50 30 FHEAMO COc1ccc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3cccc(C#N)c3)C2)cc1 ZINC000091526437 571319031 /nfs/dbraw/zinc/31/90/31/571319031.db2.gz OZZYSFDGYGYQFU-FCHUYYIVSA-N 1 1 361.489 3.663 50 30 FHEAMO CO[C@]12CC[N@@H+](Cc3ccccc3C#N)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426550069 571322215 /nfs/dbraw/zinc/32/22/15/571322215.db2.gz QTYOUSCDVCWUHK-JAXLGGSGSA-N 1 1 363.461 3.544 50 30 FHEAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095360224 571328936 /nfs/dbraw/zinc/32/89/36/571328936.db2.gz VFZZPEPLXGVQGF-RBZQAINGSA-N 1 1 373.500 3.629 50 30 FHEAMO