smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(O)C#Cc1ccc(C[N@H+]2CCCN(Cc3ccncc3)CC2)s1 ZINC000952979023 1011024860 /nfs/dbraw/zinc/02/48/60/1011024860.db2.gz SRCQSJBWZWPREN-UHFFFAOYSA-N 1 1 369.534 2.973 50 30 FFEAMO CC(C)(O)C#Cc1ccc(CN2CCC[N@H+](Cc3ccncc3)CC2)s1 ZINC000952979023 1011024865 /nfs/dbraw/zinc/02/48/65/1011024865.db2.gz SRCQSJBWZWPREN-UHFFFAOYSA-N 1 1 369.534 2.973 50 30 FFEAMO CC(C)(O)C#Cc1ccc(CN2CCC[N@@H+](Cc3ccncc3)CC2)s1 ZINC000952979023 1011024872 /nfs/dbraw/zinc/02/48/72/1011024872.db2.gz SRCQSJBWZWPREN-UHFFFAOYSA-N 1 1 369.534 2.973 50 30 FFEAMO CC1=C2[C@H]3OC(=O)[C@H](C[NH+]4C[C@H](C)O[C@@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000035361842 204243506 /nfs/dbraw/zinc/24/35/06/204243506.db2.gz GDXMPYQBACNJOM-ZJKVHLFESA-N 1 1 359.466 2.509 50 30 biogenic FFEAMO C[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@H]1COc2ccccc2O1 ZINC000031183528 204915271 /nfs/dbraw/zinc/91/52/71/204915271.db2.gz LWYBQGPNOROVKQ-AWEZNQCLSA-N 1 1 357.435 2.720 50 30 FFEAMO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000040025412 205050475 /nfs/dbraw/zinc/05/04/75/205050475.db2.gz VNYPDXUYICXNLE-IBGZPJMESA-N 1 1 368.525 2.713 50 30 FFEAMO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000040025412 205050480 /nfs/dbraw/zinc/05/04/80/205050480.db2.gz VNYPDXUYICXNLE-IBGZPJMESA-N 1 1 368.525 2.713 50 30 FFEAMO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000040025412 205050485 /nfs/dbraw/zinc/05/04/85/205050485.db2.gz VNYPDXUYICXNLE-IBGZPJMESA-N 1 1 368.525 2.713 50 30 FFEAMO N#Cc1cc2c(ccn(CC[N@H+]3CCC[C@@H](c4ccccc4)C3)c2=O)nc1O ZINC000067675949 205381628 /nfs/dbraw/zinc/38/16/28/205381628.db2.gz FXWXQCPMWIWVRU-QGZVFWFLSA-N 1 1 374.444 2.853 50 30 FFEAMO C[C@@H]1C[C@](O)(C#CCOc2ccc(Br)cc2)[C@H](C)C[N@H+]1C ZINC000005440225 206195064 /nfs/dbraw/zinc/19/50/64/206195064.db2.gz BZEJSCRBMDUORW-CKEIUWERSA-N 1 1 352.272 2.923 50 30 FFEAMO C=CCSc1nc2nc(N3CC[NH+](C)CC3)ncc2c(SCC=C)n1 ZINC000005175305 132306064 /nfs/dbraw/zinc/30/60/64/132306064.db2.gz WZXBWZFWUQZDSK-UHFFFAOYSA-N 1 1 374.539 2.728 50 30 FFEAMO COc1ccc(OCC[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000057381113 136129102 /nfs/dbraw/zinc/12/91/02/136129102.db2.gz BJZZJSOKUUNVAG-UHFFFAOYSA-N 1 1 355.413 2.907 50 30 FFEAMO C=CCC(=O)N(CCOC)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012093025 506815456 /nfs/dbraw/zinc/81/54/56/506815456.db2.gz VDRLUXCZQHHVAH-GOSISDBHSA-N 1 1 356.510 2.917 50 30 FFEAMO N#Cc1c2c(c(-c3ccccc3)nc1N1CC[NH+](CCO)CC1)CCCC2 ZINC000020591458 507226455 /nfs/dbraw/zinc/22/64/55/507226455.db2.gz WFHYIGRTZFUWPU-UHFFFAOYSA-N 1 1 362.477 2.613 50 30 FFEAMO C=CC[N@@H+]1CCCN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)CC1 ZINC000072252455 507771870 /nfs/dbraw/zinc/77/18/70/507771870.db2.gz SFBUYTAJLCEIEI-UHFFFAOYSA-N 1 1 352.482 2.882 50 30 FFEAMO N#Cc1ccc(-c2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3CO)cc2)cc1 ZINC000426734156 514028156 /nfs/dbraw/zinc/02/81/56/514028156.db2.gz SKHDZIWCNAIJAR-NRFANRHFSA-N 1 1 363.461 2.802 50 30 FFEAMO COc1cc(/C=N/N2CC[NH+](Cc3ccc(C)cc3)CC2)cc(OC)c1O ZINC000019791064 521988013 /nfs/dbraw/zinc/98/80/13/521988013.db2.gz YKOHJTAMXQFELQ-HYARGMPZSA-N 1 1 369.465 2.870 50 30 FFEAMO CC[C@H](Oc1ccccc1)C(=O)ONC(=[NH2+])c1ccc(OC)c(OC)c1 ZINC000004986129 522889487 /nfs/dbraw/zinc/88/94/87/522889487.db2.gz AIYZEGQKZALNEX-HNNXBMFYSA-N 1 1 358.394 2.725 50 30 FFEAMO OCC#Cc1csc(-c2cn([C@@H]3CC[N@@H+](Cc4ccccc4)C3)nn2)c1 ZINC000091412042 527521469 /nfs/dbraw/zinc/52/14/69/527521469.db2.gz NBOSNRRZAJKWBY-GOSISDBHSA-N 1 1 364.474 2.797 50 30 FFEAMO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(c2cccc(C#N)n2)CC1 ZINC000082098675 535981485 /nfs/dbraw/zinc/98/14/85/535981485.db2.gz RZZPDHKXPBYZMI-UHFFFAOYSA-N 1 1 365.485 2.544 50 30 FFEAMO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]Cc2cn3ccccc3n2)C1 ZINC000329304723 971050007 /nfs/dbraw/zinc/05/00/07/971050007.db2.gz OLPYYVHMBRIWAF-MRXNPFEDSA-N 1 1 352.442 2.844 50 30 FFEAMO Cc1noc([C@H]2CC3(C[N@H+]2C)CCN(C(=O)c2ccc(C#N)cc2)CC3)n1 ZINC000581803194 999947413 /nfs/dbraw/zinc/94/74/13/999947413.db2.gz WEXQVULJMHKXNP-QGZVFWFLSA-N 1 1 365.437 2.549 50 30 FFEAMO Cc1noc([C@H]2CC3(C[N@@H+]2C)CCN(C(=O)c2ccc(C#N)cc2)CC3)n1 ZINC000581803194 999947414 /nfs/dbraw/zinc/94/74/14/999947414.db2.gz WEXQVULJMHKXNP-QGZVFWFLSA-N 1 1 365.437 2.549 50 30 FFEAMO [NH2+]=C(NOC(=O)c1cccc(I)c1)c1ccccc1 ZINC000004992182 204183706 /nfs/dbraw/zinc/18/37/06/204183706.db2.gz NSPDMDFOADWFPV-UHFFFAOYSA-N 1 1 366.158 2.769 50 30 FFEAMO C[N@@H+](Cc1ccccc1)[C@@H]1C[C@]2(CCCO2)CC[C@H]1OS(C)(=O)=O ZINC000071766917 205029797 /nfs/dbraw/zinc/02/97/97/205029797.db2.gz NYFYLBNGYNIZQT-KURKYZTESA-N 1 1 353.484 2.565 50 30 FFEAMO CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000057681812 206387241 /nfs/dbraw/zinc/38/72/41/206387241.db2.gz XKNCPGJLBQEOAO-QGZVFWFLSA-N 1 1 354.406 2.549 50 30 FFEAMO N#Cc1cc2c(nc1N1CC[N@@H+](C3CCCC3)[C@@H](CCO)C1)CCCC2 ZINC000107013839 132240914 /nfs/dbraw/zinc/24/09/14/132240914.db2.gz NFGOUZJULGFVJU-IBGZPJMESA-N 1 1 354.498 2.648 50 30 FFEAMO OCC#Cc1csc(C[NH+]2CCN(c3nccc4ccccc43)CC2)c1 ZINC000065403518 132305667 /nfs/dbraw/zinc/30/56/67/132305667.db2.gz ZAPCBEICMHSXDT-UHFFFAOYSA-N 1 1 363.486 2.962 50 30 FFEAMO C=CC[C@@]1(CO)CCC[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000091288581 507979008 /nfs/dbraw/zinc/97/90/08/507979008.db2.gz YUKRNPIGKLSNFR-LJQANCHMSA-N 1 1 350.890 2.649 50 30 FFEAMO C=CCN1CC[C@]2(CN(C/C(C)=C/c3ccco3)CC[N@@H+]2C)CCC1=O ZINC000091624545 507996824 /nfs/dbraw/zinc/99/68/24/507996824.db2.gz CQFVEGCGVGZCAU-RHYRFBSLSA-N 1 1 357.498 2.868 50 30 FFEAMO Cc1csc(C[N@@H+](C)C[C@H]2[C@@H]3CN(C(=O)c4cccc(C#N)c4)C[C@H]23)n1 ZINC000102829861 508287219 /nfs/dbraw/zinc/28/72/19/508287219.db2.gz XPYMQOUVXZWHEH-NNZMDNLPSA-N 1 1 366.490 2.773 50 30 FFEAMO CN1C[C@]2(CCC[N@@H+](CCCC(=O)Nc3ccc(C#N)cc3)C2)CCC1=O ZINC000244748552 509869687 /nfs/dbraw/zinc/86/96/87/509869687.db2.gz OJNZZBOXPLLWTP-NRFANRHFSA-N 1 1 368.481 2.611 50 30 FFEAMO [NH2+]=C(NOC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000016133832 526810822 /nfs/dbraw/zinc/81/08/22/526810822.db2.gz MBKHKDXKSPDXMZ-UHFFFAOYSA-N 1 1 364.155 2.835 50 30 FFEAMO C=CCOc1ccc(Cl)cc1CN1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000952961340 1011012509 /nfs/dbraw/zinc/01/25/09/1011012509.db2.gz FEDZSYZRJQMPAH-UHFFFAOYSA-N 1 1 365.905 2.501 50 30 FFEAMO C=CCOc1ccc(Cl)cc1CN1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000952961340 1011012514 /nfs/dbraw/zinc/01/25/14/1011012514.db2.gz FEDZSYZRJQMPAH-UHFFFAOYSA-N 1 1 365.905 2.501 50 30 FFEAMO C[NH+]1CCN(c2ccc(/C=C3\S/C(=N\c4ccccc4)NC3=O)o2)CC1 ZINC000003971260 204116494 /nfs/dbraw/zinc/11/64/94/204116494.db2.gz KRMZERMKAFQLTH-SSZFMOIBSA-N 1 1 368.462 2.923 50 30 FFEAMO CC1CCC(NC(=O)C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000051851813 205184364 /nfs/dbraw/zinc/18/43/64/205184364.db2.gz CCIUDBKOCLVUIM-UHFFFAOYSA-N 1 1 354.498 2.765 50 30 FFEAMO CC1CCC(NC(=O)C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000051851813 205184370 /nfs/dbraw/zinc/18/43/70/205184370.db2.gz CCIUDBKOCLVUIM-UHFFFAOYSA-N 1 1 354.498 2.765 50 30 FFEAMO COc1ccc(C(=[NH2+])NOC(=O)CSc2ccc(C)cc2)cc1OC ZINC000005047623 506417241 /nfs/dbraw/zinc/41/72/41/506417241.db2.gz MKFQMMJNTOFTCX-UHFFFAOYSA-N 1 1 360.435 2.968 50 30 FFEAMO N#Cc1ccc(CN2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1 ZINC000071750164 507711081 /nfs/dbraw/zinc/71/10/81/507711081.db2.gz QHLZYFAKGPYYSO-IBGZPJMESA-N 1 1 366.509 2.513 50 30 FFEAMO C=C(C)C[N@@H+](C)Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12 ZINC000071764772 507714393 /nfs/dbraw/zinc/71/43/93/507714393.db2.gz CBYGYOPCAKYCCN-OKILXGFUSA-N 1 1 362.499 2.653 50 30 FFEAMO C=C(C)C[N@H+](C)Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12 ZINC000071764772 507714399 /nfs/dbraw/zinc/71/43/99/507714399.db2.gz CBYGYOPCAKYCCN-OKILXGFUSA-N 1 1 362.499 2.653 50 30 FFEAMO CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](COC)Cc1ccccc1 ZINC000076093774 508157973 /nfs/dbraw/zinc/15/79/73/508157973.db2.gz JWMSSXWFSFPMTJ-SFTDATJTSA-N 1 1 368.477 2.878 50 30 FFEAMO CSc1nc(NCCC[NH+]2CCOCC2)c(C#N)c(-c2ccccc2)n1 ZINC000019820808 526214449 /nfs/dbraw/zinc/21/44/49/526214449.db2.gz RXJYLYOGWLCQOC-UHFFFAOYSA-N 1 1 369.494 2.871 50 30 FFEAMO COc1nccc(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)c1C#N ZINC000095529682 537145381 /nfs/dbraw/zinc/14/53/81/537145381.db2.gz LGAISXPIUNDFJS-QGZVFWFLSA-N 1 1 374.448 2.986 50 30 FFEAMO OCC#Cc1csc(C[N@H+]2CCCN(Cc3ccccc3F)CC2)c1 ZINC000828644587 999577561 /nfs/dbraw/zinc/57/75/61/999577561.db2.gz HNVJKPMGWHSMNB-UHFFFAOYSA-N 1 1 358.482 2.939 50 30 FFEAMO N#Cc1ccc(CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000057991805 205247093 /nfs/dbraw/zinc/24/70/93/205247093.db2.gz AFIGCJQOMWLXRP-JOCHJYFZSA-N 1 1 374.444 2.645 50 30 FFEAMO CC1=C2[C@H]3OC(=O)[C@H](C[NH+]4C[C@@H](C)O[C@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000020114035 206329460 /nfs/dbraw/zinc/32/94/60/206329460.db2.gz GDXMPYQBACNJOM-NKWSQFGKSA-N 1 1 359.466 2.509 50 30 biogenic FFEAMO Cc1[nH+]c(N)nc(N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)c1Cl ZINC000219011198 206378150 /nfs/dbraw/zinc/37/81/50/206378150.db2.gz XIZFIGPJHLAQGH-ZIAGYGMSSA-N 1 1 359.817 2.541 50 30 FFEAMO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000052920002 506278578 /nfs/dbraw/zinc/27/85/78/506278578.db2.gz ZQEHRBDUJOWGOS-UHFFFAOYSA-N 1 1 352.360 2.793 50 30 FFEAMO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000052920002 506278585 /nfs/dbraw/zinc/27/85/85/506278585.db2.gz ZQEHRBDUJOWGOS-UHFFFAOYSA-N 1 1 352.360 2.793 50 30 FFEAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000012908350 506914807 /nfs/dbraw/zinc/91/48/07/506914807.db2.gz DCWYIDJDPXGAQI-HNNXBMFYSA-N 1 1 360.421 2.770 50 30 FFEAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000012908350 506914821 /nfs/dbraw/zinc/91/48/21/506914821.db2.gz DCWYIDJDPXGAQI-HNNXBMFYSA-N 1 1 360.421 2.770 50 30 FFEAMO OCC#Cc1ccc([C@H]2c3[nH]cnc3CC[N@@H+]2CCc2ccccc2)cc1 ZINC000072478662 507797243 /nfs/dbraw/zinc/79/72/43/507797243.db2.gz QRJVIAUBEHBDHV-QHCPKHFHSA-N 1 1 357.457 2.944 50 30 FFEAMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)C1CCOCC1 ZINC000092002126 508031042 /nfs/dbraw/zinc/03/10/42/508031042.db2.gz FXSHTXUTIPZVSP-UXHICEINSA-N 1 1 355.482 2.557 50 30 FFEAMO Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)C[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000097732694 508229689 /nfs/dbraw/zinc/22/96/89/508229689.db2.gz JLJNYECCHITFFR-KRWDZBQOSA-N 1 1 368.481 2.506 50 30 FFEAMO COC(=O)c1ccc(COc2ccc(C=NN3CC[NH+](C)CC3)cc2)cc1 ZINC000254870547 509911817 /nfs/dbraw/zinc/91/18/17/509911817.db2.gz YTAAOBRRHZTZRG-UHFFFAOYSA-N 1 1 367.449 2.634 50 30 FFEAMO C=CCOC[C@@H](O)C[N@H+](Cc1ccco1)Cc1cccc(OC)c1OC ZINC000036103615 518990302 /nfs/dbraw/zinc/99/03/02/518990302.db2.gz VFHYWLWMBJOOJJ-KRWDZBQOSA-N 1 1 361.438 2.863 50 30 FFEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1cccc(OC)c1OC ZINC000036103615 518990305 /nfs/dbraw/zinc/99/03/05/518990305.db2.gz VFHYWLWMBJOOJJ-KRWDZBQOSA-N 1 1 361.438 2.863 50 30 FFEAMO N#Cc1cc2n(n1)CCC[N@H+](Cc1cnc(NCc3ccccc3)nc1)C2 ZINC000826805683 999420432 /nfs/dbraw/zinc/42/04/32/999420432.db2.gz PGHMPQLYQYUKER-UHFFFAOYSA-N 1 1 359.437 2.563 50 30 FFEAMO N#Cc1cc2n(n1)CCC[N@@H+](Cc1cnc(NCc3ccccc3)nc1)C2 ZINC000826805683 999420437 /nfs/dbraw/zinc/42/04/37/999420437.db2.gz PGHMPQLYQYUKER-UHFFFAOYSA-N 1 1 359.437 2.563 50 30 FFEAMO CC(C)(O)C#Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC001506412285 1059500158 /nfs/dbraw/zinc/50/01/58/1059500158.db2.gz BNBNEZRZKXKEBA-GOSISDBHSA-N 1 1 354.494 2.803 50 30 FFEAMO COc1ccc(OC)c(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)c1 ZINC000067692032 205383234 /nfs/dbraw/zinc/38/32/34/205383234.db2.gz IIJMJFXYHGXUDK-MEDUHNTESA-N 1 1 350.422 2.911 50 30 FFEAMO N#Cc1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000107147295 206016580 /nfs/dbraw/zinc/01/65/80/206016580.db2.gz SRCAXDZYERMXLK-QUCCMNQESA-N 1 1 364.449 2.563 50 30 FFEAMO Cc1cccc(NC(=NC(=O)c2ccc(F)cc2)N2CC[NH+](C)CC2)c1 ZINC000032946263 506317077 /nfs/dbraw/zinc/31/70/77/506317077.db2.gz LRZMSSNTAYZPOC-UHFFFAOYSA-N 1 1 354.429 2.990 50 30 FFEAMO N#CCCN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000023248685 507340971 /nfs/dbraw/zinc/34/09/71/507340971.db2.gz CXZYGPVGOZPXIQ-UHFFFAOYSA-N 1 1 362.477 2.751 50 30 FFEAMO CNC(=O)c1ccc(C[N@H+](CC(=O)Nc2cccc(C#N)c2)C2CC2)cc1 ZINC000025188675 507474474 /nfs/dbraw/zinc/47/44/74/507474474.db2.gz WEYFFNKKVVUKFI-UHFFFAOYSA-N 1 1 362.433 2.521 50 30 FFEAMO CNC(=O)c1ccc(C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C2CC2)cc1 ZINC000025188675 507474484 /nfs/dbraw/zinc/47/44/84/507474484.db2.gz WEYFFNKKVVUKFI-UHFFFAOYSA-N 1 1 362.433 2.521 50 30 FFEAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(C#N)cc1)C2 ZINC000091390916 507982934 /nfs/dbraw/zinc/98/29/34/507982934.db2.gz RMMUQMSECUJRNC-PKOBYXMFSA-N 1 1 364.449 2.900 50 30 FFEAMO N#CC1(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)CCOCC1 ZINC000095363551 508176773 /nfs/dbraw/zinc/17/67/73/508176773.db2.gz LVEJDHZSJVPSKC-PKOBYXMFSA-N 1 1 371.456 2.569 50 30 FFEAMO Cn1cc(C#N)cc1C(=O)N(CCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000095497227 508189716 /nfs/dbraw/zinc/18/97/16/508189716.db2.gz JWJDKOJUGKVUFL-LJQANCHMSA-N 1 1 364.493 2.923 50 30 FFEAMO CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000096000026 508202023 /nfs/dbraw/zinc/20/20/23/508202023.db2.gz MVCKLHUZBULVCE-MRXNPFEDSA-N 1 1 369.444 2.921 50 30 FFEAMO CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000096000026 508202024 /nfs/dbraw/zinc/20/20/24/508202024.db2.gz MVCKLHUZBULVCE-MRXNPFEDSA-N 1 1 369.444 2.921 50 30 FFEAMO [NH2+]=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)c1ccc(Br)o1 ZINC000018173069 507143181 /nfs/dbraw/zinc/14/31/81/507143181.db2.gz SAXZKQRHHUFFFW-UHFFFAOYSA-N 1 1 368.143 2.622 50 30 FFEAMO CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000025234600 507477936 /nfs/dbraw/zinc/47/79/36/507477936.db2.gz ODQOJURRKIHSSC-SFHVURJKSA-N 1 1 370.449 2.837 50 30 FFEAMO Cc1ccc(OCC[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000025699672 507523944 /nfs/dbraw/zinc/52/39/44/507523944.db2.gz UHKCOLQTRAHTLD-IBGZPJMESA-N 1 1 354.450 2.812 50 30 FFEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)CC(OC)OC)[C@H]3C[C@H]12 ZINC000061695588 507632895 /nfs/dbraw/zinc/63/28/95/507632895.db2.gz YHZOBPBMQMCRTE-FLXNRXMOSA-N 1 1 351.487 2.851 50 30 biogenic FFEAMO CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000096000027 508201780 /nfs/dbraw/zinc/20/17/80/508201780.db2.gz MVCKLHUZBULVCE-INIZCTEOSA-N 1 1 369.444 2.921 50 30 FFEAMO CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000096000027 508201784 /nfs/dbraw/zinc/20/17/84/508201784.db2.gz MVCKLHUZBULVCE-INIZCTEOSA-N 1 1 369.444 2.921 50 30 FFEAMO C[N@@H+]1CCN(C(=O)c2ccc(-c3ccc(F)c(C#N)c3)cc2)C[C@H]1CCO ZINC000426441762 513941831 /nfs/dbraw/zinc/94/18/31/513941831.db2.gz MEDJPHTTWDEMRM-LJQANCHMSA-N 1 1 367.424 2.503 50 30 FFEAMO C[N@H+]1CCN(C(=O)c2ccc(-c3ccc(F)c(C#N)c3)cc2)C[C@H]1CCO ZINC000426441762 513941840 /nfs/dbraw/zinc/94/18/40/513941840.db2.gz MEDJPHTTWDEMRM-LJQANCHMSA-N 1 1 367.424 2.503 50 30 FFEAMO C=CCC[C@H](CN1CCC[N@H+](C)CC1)Oc1cc(N2CCCCC2)ncn1 ZINC000067955483 534801951 /nfs/dbraw/zinc/80/19/51/534801951.db2.gz IWEWIIQELOIEOC-LJQANCHMSA-N 1 1 373.545 2.818 50 30 FFEAMO C=CCC[C@H](C[N@H+]1CCCN(C)CC1)Oc1cc(N2CCCCC2)ncn1 ZINC000067955483 534801956 /nfs/dbraw/zinc/80/19/56/534801956.db2.gz IWEWIIQELOIEOC-LJQANCHMSA-N 1 1 373.545 2.818 50 30 FFEAMO C=CCC[C@H](C[N@@H+]1CCCN(C)CC1)Oc1cc(N2CCCCC2)ncn1 ZINC000067955483 534801959 /nfs/dbraw/zinc/80/19/59/534801959.db2.gz IWEWIIQELOIEOC-LJQANCHMSA-N 1 1 373.545 2.818 50 30 FFEAMO Cc1ccc(S(=O)(=O)NCC#CC[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000085470662 525563838 /nfs/dbraw/zinc/56/38/38/525563838.db2.gz YQAKYTNVVAFDIT-UHFFFAOYSA-N 1 1 356.491 2.717 50 30 FFEAMO C[N@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2C1 ZINC000020000401 507208727 /nfs/dbraw/zinc/20/87/27/507208727.db2.gz KGAPOBLIDURTOR-UHFFFAOYSA-N 1 1 356.426 2.811 50 30 aggregator FFEAMO C=CCN1CC[C@@]2(CN(C/C(C)=C/c3ccco3)CC[N@@H+]2C)CCC1=O ZINC000107665181 507862013 /nfs/dbraw/zinc/86/20/13/507862013.db2.gz CQFVEGCGVGZCAU-BKBDBRRMSA-N 1 1 357.498 2.868 50 30 FFEAMO C[N@H+]1CCC[C@@H](C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)C1 ZINC000090730343 507934690 /nfs/dbraw/zinc/93/46/90/507934690.db2.gz YDATXNBNWVAMJQ-CQSZACIVSA-N 1 1 354.372 2.546 50 30 FFEAMO C=CCN1CC[C@]2(CN(C(=O)Nc3ccc(F)cc3)CC[N@@H+]2C)CCC1=O ZINC000091320520 507980179 /nfs/dbraw/zinc/98/01/79/507980179.db2.gz DGMGNGNFYQOKTM-FQEVSTJZSA-N 1 1 374.460 2.542 50 30 FFEAMO N#CC1(CCC[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)CCOCC1 ZINC000282005723 512043680 /nfs/dbraw/zinc/04/36/80/512043680.db2.gz NZURYDHCRTYVGO-UHFFFAOYSA-N 1 1 373.472 2.613 50 30 FFEAMO CCN(CC)CCNc1cc(C)[nH+]c2c1C(=O)C(=O)C=C2N1CCCCC1 ZINC000003000171 520690658 /nfs/dbraw/zinc/69/06/58/520690658.db2.gz DHOKHBXNKDRFNT-UHFFFAOYSA-N 1 1 370.497 2.736 50 30 FFEAMO COC[C@@H]1CCC[N@H+]1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 ZINC000252462274 522461695 /nfs/dbraw/zinc/46/16/95/522461695.db2.gz REILRXPTAKYZGI-JEOUVKQFSA-N 1 1 363.498 2.624 50 30 biogenic FFEAMO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(-c2cccnc2)n1 ZINC000095430344 527204627 /nfs/dbraw/zinc/20/46/27/527204627.db2.gz CXGIJAFPNCLEHO-NRFANRHFSA-N 1 1 372.476 2.865 50 30 FFEAMO COc1nccc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)c1C#N ZINC000095497255 537144926 /nfs/dbraw/zinc/14/49/26/537144926.db2.gz GBORHYHUTAOLFO-MRXNPFEDSA-N 1 1 374.448 2.986 50 30 FFEAMO CN(CC[N@@H+](C)C1CCCC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000952982245 740472739 /nfs/dbraw/zinc/47/27/39/740472739.db2.gz QWNLUAWWMALTGF-UHFFFAOYSA-N 1 1 355.891 2.707 50 30 FFEAMO COC[C@@H]1C[N@H+](C2CCC2)CC12CCN(C(=O)c1ccc(C#N)cc1)CC2 ZINC000581801252 999945822 /nfs/dbraw/zinc/94/58/22/999945822.db2.gz UBTVRHAAZGTOGF-IBGZPJMESA-N 1 1 367.493 2.911 50 30 FFEAMO C=CCC[C@@H](C[N@@H+](C)Cc1cccnc1)Oc1cc(C(=O)NC)ccn1 ZINC000067841344 205027532 /nfs/dbraw/zinc/02/75/32/205027532.db2.gz KTIGNAYUWTUWQV-SFHVURJKSA-N 1 1 354.454 2.682 50 30 FFEAMO CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccc(C#N)cc1 ZINC000057681811 206387106 /nfs/dbraw/zinc/38/71/06/206387106.db2.gz XKNCPGJLBQEOAO-KRWDZBQOSA-N 1 1 354.406 2.549 50 30 FFEAMO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000091745319 508007071 /nfs/dbraw/zinc/00/70/71/508007071.db2.gz BSJSPBQEFDQQSB-RBUKOAKNSA-N 1 1 364.449 2.786 50 30 FFEAMO N#CC1CCN(Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000095504459 508191310 /nfs/dbraw/zinc/19/13/10/508191310.db2.gz KGOGFPUWZRTGDI-FQEVSTJZSA-N 1 1 357.498 2.648 50 30 FFEAMO C=CC[NH2+]CC[C@H]1CCC(=O)N1CC1(N2CCOCC2)CCCCCC1 ZINC000299780015 511679974 /nfs/dbraw/zinc/67/99/74/511679974.db2.gz HHMYHUPXPLJDJD-LJQANCHMSA-N 1 1 363.546 2.568 50 30 FFEAMO COc1nccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000328759818 511928430 /nfs/dbraw/zinc/92/84/30/511928430.db2.gz XATLMGSLKKMFQH-HNNXBMFYSA-N 1 1 355.442 2.627 50 30 FFEAMO COc1ccc(CCNC(=O)NCC#CC[N@@H+](C)Cc2ccccc2)cc1 ZINC000085470646 523963396 /nfs/dbraw/zinc/96/33/96/523963396.db2.gz FYSPOEXZPDKREA-UHFFFAOYSA-N 1 1 365.477 2.672 50 30 FFEAMO CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](COC)Cc1ccccc1 ZINC000107067130 209275432 /nfs/dbraw/zinc/27/54/32/209275432.db2.gz JWMSSXWFSFPMTJ-RTWAWAEBSA-N 1 1 368.477 2.878 50 30 FFEAMO C=CCN1CC[C@@]2(CN(C(=O)Nc3ccccc3F)CC[N@@H+]2C)CCC1=O ZINC000095354108 206691490 /nfs/dbraw/zinc/69/14/90/206691490.db2.gz LXBPNFJTVWNHJV-HXUWFJFHSA-N 1 1 374.460 2.542 50 30 FFEAMO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086738 208359506 /nfs/dbraw/zinc/35/95/06/208359506.db2.gz OYPKDNSEVWOEOP-HKUYNNGSSA-N 1 1 354.498 2.765 50 30 FFEAMO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086738 208359511 /nfs/dbraw/zinc/35/95/11/208359511.db2.gz OYPKDNSEVWOEOP-HKUYNNGSSA-N 1 1 354.498 2.765 50 30 FFEAMO CCCCC(=O)N1CCC2(CC1)CN(Cc1ccccc1C#N)CC[N@H+]2C ZINC000067856613 507026828 /nfs/dbraw/zinc/02/68/28/507026828.db2.gz IEBCXBVKICOFJG-UHFFFAOYSA-N 1 1 368.525 2.857 50 30 FFEAMO CC(C)(O)C#Cc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)cc1 ZINC000020455299 507222884 /nfs/dbraw/zinc/22/28/84/507222884.db2.gz CUJJEJIKUSSUIX-NRFANRHFSA-N 1 1 372.553 2.724 50 30 FFEAMO COc1cc(O)ccc1-c1c(C#N)c(N)nc2c1C[N@@H+](CC(C)C)CC2 ZINC000072146544 507758221 /nfs/dbraw/zinc/75/82/21/507758221.db2.gz FRGWGAKTTDDRIK-UHFFFAOYSA-N 1 1 352.438 2.931 50 30 FFEAMO C=CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(-c3cncc(=O)[nH]3)cc2)C[C@H]1C ZINC000534667451 517993054 /nfs/dbraw/zinc/99/30/54/517993054.db2.gz SXGIAAGHQILTOV-HUUCEWRRSA-N 1 1 352.438 2.570 50 30 FFEAMO C=CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(-c3cncc(=O)[nH]3)cc2)C[C@H]1C ZINC000534667451 517993060 /nfs/dbraw/zinc/99/30/60/517993060.db2.gz SXGIAAGHQILTOV-HUUCEWRRSA-N 1 1 352.438 2.570 50 30 FFEAMO C#CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000036102392 518310928 /nfs/dbraw/zinc/31/09/28/518310928.db2.gz NGIHTQZDNQXDHH-HXUWFJFHSA-N 1 1 357.425 2.847 50 30 FFEAMO COc1ccccc1NC(=NC(=O)c1ccc(C)cc1)N1CC[NH+](C)CC1 ZINC000015729068 524530709 /nfs/dbraw/zinc/53/07/09/524530709.db2.gz VTIZMJVMTZGKNW-UHFFFAOYSA-N 1 1 366.465 2.859 50 30 FFEAMO [NH2+]=C(NOC(=O)CCn1c(=O)oc2ccccc21)c1ccc(Cl)cc1 ZINC000004394483 526808384 /nfs/dbraw/zinc/80/83/84/526808384.db2.gz BWHKPTVZRAMPIR-UHFFFAOYSA-N 1 1 359.769 2.502 50 30 FFEAMO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(c2ccc(C#N)cn2)CC1 ZINC000082120085 535981019 /nfs/dbraw/zinc/98/10/19/535981019.db2.gz CMLQLQKTPOCLQN-UHFFFAOYSA-N 1 1 365.485 2.544 50 30 FFEAMO C[NH+](C)[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000095384491 536119884 /nfs/dbraw/zinc/11/98/84/536119884.db2.gz RLHJBPAXEZQAJU-HXUWFJFHSA-N 1 1 366.440 2.649 50 30 FFEAMO C[NH+](C)[C@@H](C(=O)N1CCN(c2ccccc2C#N)CC1)c1ccc(F)cc1 ZINC000095354456 536120270 /nfs/dbraw/zinc/12/02/70/536120270.db2.gz CMZQMAPIQGCPLT-HXUWFJFHSA-N 1 1 366.440 2.649 50 30 FFEAMO COc1nccc(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)c1C#N ZINC000095512350 537145222 /nfs/dbraw/zinc/14/52/22/537145222.db2.gz JLNWLTCGXKOION-UHFFFAOYSA-N 1 1 374.448 2.986 50 30 FFEAMO Cc1noc([C@H]2CC3(C[N@H+]2C)CCN(C(=O)c2cccc(C#N)c2)CC3)n1 ZINC000581803192 999947307 /nfs/dbraw/zinc/94/73/07/999947307.db2.gz WEDOUYWBTDTJIV-QGZVFWFLSA-N 1 1 365.437 2.549 50 30 FFEAMO Cc1noc([C@H]2CC3(C[N@@H+]2C)CCN(C(=O)c2cccc(C#N)c2)CC3)n1 ZINC000581803192 999947310 /nfs/dbraw/zinc/94/73/10/999947310.db2.gz WEDOUYWBTDTJIV-QGZVFWFLSA-N 1 1 365.437 2.549 50 30 FFEAMO Cc1cnc(C)c(N2CC[NH+](Cc3ccc(C#CC(C)(C)O)s3)CC2)n1 ZINC000065373617 132305648 /nfs/dbraw/zinc/30/56/48/132305648.db2.gz HGEPMXRQWIKTGU-UHFFFAOYSA-N 1 1 370.522 2.600 50 30 FFEAMO C[N@H+](Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C[C@@H]1COCCO1 ZINC000065455813 506302491 /nfs/dbraw/zinc/30/24/91/506302491.db2.gz YYZDUKHAJBDTNW-HXUWFJFHSA-N 1 1 365.433 2.658 50 30 FFEAMO C[N@H+](Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C[C@H]1COCCO1 ZINC000065455815 506302677 /nfs/dbraw/zinc/30/26/77/506302677.db2.gz YYZDUKHAJBDTNW-FQEVSTJZSA-N 1 1 365.433 2.658 50 30 FFEAMO C=C(C)C[N@H+](CC)CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000040161503 506478173 /nfs/dbraw/zinc/47/81/73/506478173.db2.gz HBOQKPLUUHKYAP-SFHVURJKSA-N 1 1 357.454 2.756 50 30 FFEAMO C=C(C)C[N@@H+](CC)CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000040161503 506478193 /nfs/dbraw/zinc/47/81/93/506478193.db2.gz HBOQKPLUUHKYAP-SFHVURJKSA-N 1 1 357.454 2.756 50 30 FFEAMO C=C(C)C[N@H+](CC)CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000040161503 506478198 /nfs/dbraw/zinc/47/81/98/506478198.db2.gz HBOQKPLUUHKYAP-SFHVURJKSA-N 1 1 357.454 2.756 50 30 FFEAMO COc1cc(OC)cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)c1 ZINC000067856824 507028680 /nfs/dbraw/zinc/02/86/80/507028680.db2.gz IKVAYRMOBGUORR-YVEFUNNKSA-N 1 1 350.422 2.911 50 30 FFEAMO COc1ccc(C(=O)C2C(=O)C(=O)N(CCC[NH3+])[C@@H]2c2ccccc2)cc1 ZINC000019933711 507206225 /nfs/dbraw/zinc/20/62/25/507206225.db2.gz ZGAUCPXVQHRMIG-GOSISDBHSA-N 1 1 366.417 2.622 50 30 FFEAMO COc1c2c(cc3c1[C@@H](C/C(=N/O)c1ccccn1)[N@@H+](C)CC3)OCO2 ZINC000020111754 507212324 /nfs/dbraw/zinc/21/23/24/507212324.db2.gz YBIIDIGFVMXLJU-XWCAUFEOSA-N 1 1 355.394 2.617 50 30 biogenic FFEAMO CCOC(=O)C(CC#CC[N@H+]1CCCC[C@@H]1c1cccnc1)C(=O)OCC ZINC000061999398 507650249 /nfs/dbraw/zinc/65/02/49/507650249.db2.gz BJQPESVQPROFRD-LJQANCHMSA-N 1 1 372.465 2.745 50 30 biogenic FFEAMO N#Cc1cccc(CN2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071764752 507714421 /nfs/dbraw/zinc/71/44/21/507714421.db2.gz FEJDWYURQHZYMN-IBGZPJMESA-N 1 1 366.509 2.513 50 30 FFEAMO CC1CCC(NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000051852153 507788242 /nfs/dbraw/zinc/78/82/42/507788242.db2.gz SXQIXKFITPIHDP-UHFFFAOYSA-N 1 1 354.498 2.765 50 30 FFEAMO CC1CCC(NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000051852153 507788246 /nfs/dbraw/zinc/78/82/46/507788246.db2.gz SXQIXKFITPIHDP-UHFFFAOYSA-N 1 1 354.498 2.765 50 30 FFEAMO N#CC1CCN(Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000095504458 508191490 /nfs/dbraw/zinc/19/14/90/508191490.db2.gz KGOGFPUWZRTGDI-HXUWFJFHSA-N 1 1 357.498 2.648 50 30 FFEAMO C=C(C)C[N@@H+](CC)Cc1nc2ccccc2c(N2CCN(C(C)=O)CC2)n1 ZINC000299783082 511679268 /nfs/dbraw/zinc/67/92/68/511679268.db2.gz JYBDLOMLBPIULF-UHFFFAOYSA-N 1 1 367.497 2.696 50 30 FFEAMO C=C(C)C[N@H+](CC)Cc1nc2ccccc2c(N2CCN(C(C)=O)CC2)n1 ZINC000299783082 511679275 /nfs/dbraw/zinc/67/92/75/511679275.db2.gz JYBDLOMLBPIULF-UHFFFAOYSA-N 1 1 367.497 2.696 50 30 FFEAMO CC[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CCOC)CCN1C(=O)OC(C)(C)C ZINC000328593774 511889326 /nfs/dbraw/zinc/88/93/26/511889326.db2.gz HEWNMLWNUFACTH-HUUCEWRRSA-N 1 1 357.495 2.557 50 30 FFEAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)Nc3cccc(C#N)c3)cc2C1 ZINC000082157695 519723109 /nfs/dbraw/zinc/72/31/09/519723109.db2.gz FDAYVADXTYAFHV-UHFFFAOYSA-N 1 1 366.469 2.938 50 30 FFEAMO COC[C@@H]1CCC[N@H+]1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@H]12 ZINC000252462273 522460072 /nfs/dbraw/zinc/46/00/72/522460072.db2.gz REILRXPTAKYZGI-FXKZTBAMSA-N 1 1 363.498 2.624 50 30 biogenic FFEAMO CC(C)c1[nH+]ccn1CCCNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000670447723 571351405 /nfs/dbraw/zinc/35/14/05/571351405.db2.gz PNPCJKLGPPANEJ-UHFFFAOYSA-N 1 1 366.874 2.900 50 30 FFEAMO CC(C)(O)C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000670460954 571356868 /nfs/dbraw/zinc/35/68/68/571356868.db2.gz ZRPAHEQCLHOLNG-HNNXBMFYSA-N 1 1 372.490 2.858 50 30 FFEAMO CC(C)(O)C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000670460954 571356869 /nfs/dbraw/zinc/35/68/69/571356869.db2.gz ZRPAHEQCLHOLNG-HNNXBMFYSA-N 1 1 372.490 2.858 50 30 FFEAMO C=CC[N@H+](C[C@H](O)COCC)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146303 506398778 /nfs/dbraw/zinc/39/87/78/506398778.db2.gz BGXQEDAMVPUSHZ-IRXDYDNUSA-N 1 1 352.862 2.718 50 30 FFEAMO COc1cccc(C(=[NH2+])NOC(=O)C=Cc2ccc(OC)c(OC)c2)c1 ZINC000012655400 506887526 /nfs/dbraw/zinc/88/75/26/506887526.db2.gz LOIHFICJSITHLI-CSKARUKUSA-N 1 1 356.378 2.589 50 30 FFEAMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc2c(c1)OCCO2 ZINC000024926314 507448707 /nfs/dbraw/zinc/44/87/07/507448707.db2.gz IRWLSAGHHFJZQC-UHFFFAOYSA-N 1 1 351.406 2.790 50 30 FFEAMO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000025767623 507531086 /nfs/dbraw/zinc/53/10/86/507531086.db2.gz FFCPZKOLJDNDEN-UHFFFAOYSA-N 1 1 369.490 2.596 50 30 FFEAMO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000025767623 507531090 /nfs/dbraw/zinc/53/10/90/507531090.db2.gz FFCPZKOLJDNDEN-UHFFFAOYSA-N 1 1 369.490 2.596 50 30 FFEAMO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(C#CCCO)cc1)C2 ZINC000091409964 507983568 /nfs/dbraw/zinc/98/35/68/507983568.db2.gz CBUXCFAMLFIMJA-FCHUYYIVSA-N 1 1 366.505 2.810 50 30 FFEAMO C=CCOC[C@H](O)C[N@@H+](CC=C)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000253376985 509873300 /nfs/dbraw/zinc/87/33/00/509873300.db2.gz VQDNPYBDEOEKFN-QZTJIDSGSA-N 1 1 364.873 2.885 50 30 FFEAMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC(C(F)F)CC2)CCC[N@H+]1C ZINC000329523505 512063477 /nfs/dbraw/zinc/06/34/77/512063477.db2.gz RQAHSTLEYWQTGH-GOEBONIOSA-N 1 1 369.460 2.694 50 30 FFEAMO COCC[N@H+]1CC[C@H](CNC(=O)c2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC000426477476 513951753 /nfs/dbraw/zinc/95/17/53/513951753.db2.gz YNRUCHFDQBNLPG-GOSISDBHSA-N 1 1 363.461 2.923 50 30 FFEAMO C#CCCC1(CCC(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)N=N1 ZINC000952880463 1011005793 /nfs/dbraw/zinc/00/57/93/1011005793.db2.gz FUFSYQFJIPGMNX-SFHVURJKSA-N 1 1 367.497 2.669 50 30 FFEAMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc(C#CC(C)(C)O)c3)C[C@@](C)(C1)C2 ZINC000952969359 1011015725 /nfs/dbraw/zinc/01/57/25/1011015725.db2.gz STPVKBWFXAQPRB-SZPZYZBQSA-N 1 1 354.494 2.613 50 30 FFEAMO [NH2+]=C1NC(=Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 ZINC000005740309 207114509 /nfs/dbraw/zinc/11/45/09/207114509.db2.gz LICSPFNKCHOBLT-UHFFFAOYSA-N 1 1 368.462 2.658 50 30 FFEAMO CCN1CC[C@@]2(CN(c3nc(C(C)C)ccc3C#N)CC[N@H+]2C)CCC1=O ZINC000091650457 132202777 /nfs/dbraw/zinc/20/27/77/132202777.db2.gz GVNSTPPAAHDSIC-OAQYLSRUSA-N 1 1 369.513 2.600 50 30 FFEAMO C=CC[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc(C#N)cn3)cc2)CC1 ZINC000065424974 506296048 /nfs/dbraw/zinc/29/60/48/506296048.db2.gz NTXYVJMYUURKFD-UHFFFAOYSA-N 1 1 361.449 2.509 50 30 FFEAMO C=CCN1CC[NH+](Cc2ccc(C(=O)Nc3ccc(C#N)cn3)cc2)CC1 ZINC000065424974 506296059 /nfs/dbraw/zinc/29/60/59/506296059.db2.gz NTXYVJMYUURKFD-UHFFFAOYSA-N 1 1 361.449 2.509 50 30 FFEAMO Cc1ncc2c(c1C#N)CCN(C(=O)[C@H]1CCC[N@@H+](Cc3ccco3)C1)C2 ZINC000055227415 506703046 /nfs/dbraw/zinc/70/30/46/506703046.db2.gz ZEQMPFWDKAZQER-INIZCTEOSA-N 1 1 364.449 2.652 50 30 FFEAMO CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)o1 ZINC000012835307 506908181 /nfs/dbraw/zinc/90/81/81/506908181.db2.gz WTQHXQSHIDGXEU-QFIPXVFZSA-N 1 1 370.493 2.740 50 30 FFEAMO COC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[N@@H+](C)CC2 ZINC000020406624 507220415 /nfs/dbraw/zinc/22/04/15/507220415.db2.gz BTBKGPGUMYPXFH-UHFFFAOYSA-N 1 1 359.476 2.935 50 30 FFEAMO CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000025234595 507478510 /nfs/dbraw/zinc/47/85/10/507478510.db2.gz ODQOJURRKIHSSC-GOSISDBHSA-N 1 1 370.449 2.837 50 30 FFEAMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](CCO)C(C)C)c1C#N ZINC000170653646 509700746 /nfs/dbraw/zinc/70/07/46/509700746.db2.gz NSSJBVXLOQYNMG-UHFFFAOYSA-N 1 1 354.454 2.607 50 30 FFEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccco1)Cc1cccc(OC)c1OC ZINC000036103616 518995906 /nfs/dbraw/zinc/99/59/06/518995906.db2.gz VFHYWLWMBJOOJJ-QGZVFWFLSA-N 1 1 361.438 2.863 50 30 FFEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1cccc(OC)c1OC ZINC000036103616 518995913 /nfs/dbraw/zinc/99/59/13/518995913.db2.gz VFHYWLWMBJOOJJ-QGZVFWFLSA-N 1 1 361.438 2.863 50 30 FFEAMO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([N@@H+](C)Cc1ccco1)C2 ZINC000014747634 970300635 /nfs/dbraw/zinc/30/06/35/970300635.db2.gz NNCJMYRTQQSCQX-INIZCTEOSA-N 1 1 368.481 2.887 50 30 FFEAMO C[NH+]1CCN([C@@H](CNC(=O)Nc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000032779434 208043143 /nfs/dbraw/zinc/04/31/43/208043143.db2.gz JHGADFFXSSXIGW-KRWDZBQOSA-N 1 1 369.494 2.730 50 30 FFEAMO COc1ccc2c(c1)OC[C@]1(CO)C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC000095506380 209065461 /nfs/dbraw/zinc/06/54/61/209065461.db2.gz DDRCJZZKRRHGTA-TZIWHRDSSA-N 1 1 350.418 2.537 50 30 FFEAMO Cc1ccc([C@H](C(=O)N2CCN(c3ccccc3C#N)CC2)[NH+](C)C)cc1 ZINC000095388434 132210173 /nfs/dbraw/zinc/21/01/73/132210173.db2.gz NJJXLDNHTUFVDN-OAQYLSRUSA-N 1 1 362.477 2.818 50 30 FFEAMO Cc1cc(C)cc(NC(=O)CC[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000244724322 132290338 /nfs/dbraw/zinc/29/03/38/132290338.db2.gz MRVNTSGGIGQLGG-UHFFFAOYSA-N 1 1 363.465 2.721 50 30 FFEAMO C=CC[N@H+]1CC[C@H](CNC(=O)CCSc2ccc3c(c2)OCCO3)C1 ZINC000065370099 506290691 /nfs/dbraw/zinc/29/06/91/506290691.db2.gz JCXDMDVQMREJCR-OAHLLOKOSA-N 1 1 362.495 2.564 50 30 FFEAMO [NH2+]=C(NOC(=O)c1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000018093488 507136698 /nfs/dbraw/zinc/13/66/98/507136698.db2.gz PXDYSWGYXBLZMD-UHFFFAOYSA-N 1 1 363.167 2.655 50 30 FFEAMO [NH2+]=C(NOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000018172990 507142570 /nfs/dbraw/zinc/14/25/70/507142570.db2.gz RINNLBDFZOWRCO-UHFFFAOYSA-N 1 1 364.155 2.835 50 30 FFEAMO CC(C)(O)C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019774982 507201519 /nfs/dbraw/zinc/20/15/19/507201519.db2.gz HASZGJKPUNJCLQ-UHFFFAOYSA-N 1 1 362.473 2.767 50 30 FFEAMO C#CC1(OC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000022917926 507318844 /nfs/dbraw/zinc/31/88/44/507318844.db2.gz BKDKTFBTJZEBBY-OAQYLSRUSA-N 1 1 356.510 2.518 50 30 FFEAMO N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000058178265 507380160 /nfs/dbraw/zinc/38/01/60/507380160.db2.gz JZJAJDMRJQCERE-OAHLLOKOSA-N 1 1 351.406 2.697 50 30 FFEAMO COC(=O)c1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)cs1 ZINC000071714702 507708850 /nfs/dbraw/zinc/70/88/50/507708850.db2.gz SQQKUUCEJNSKIX-GXFFZTMASA-N 1 1 354.435 2.742 50 30 FFEAMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)c1ccsc1 ZINC000030435330 507808718 /nfs/dbraw/zinc/80/87/18/507808718.db2.gz BBRSJQAJYYITPL-KRWDZBQOSA-N 1 1 363.508 2.981 50 30 FFEAMO C[N@H+]1CCC[C@H](C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)C1 ZINC000090730342 507934945 /nfs/dbraw/zinc/93/49/45/507934945.db2.gz YDATXNBNWVAMJQ-AWEZNQCLSA-N 1 1 354.372 2.546 50 30 FFEAMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2C)CC1 ZINC000184973209 510611578 /nfs/dbraw/zinc/61/15/78/510611578.db2.gz RPTXCNRWPNNFMP-UHFFFAOYSA-N 1 1 373.316 2.686 50 30 FFEAMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CC[C@](F)(CO)C1 ZINC000328680548 511913731 /nfs/dbraw/zinc/91/37/31/511913731.db2.gz CAWUBUYRVNKKPS-AQDPXUSMSA-N 1 1 361.461 2.502 50 30 FFEAMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CC[C@@](F)(CO)C1 ZINC000328680549 511914009 /nfs/dbraw/zinc/91/40/09/511914009.db2.gz CAWUBUYRVNKKPS-DLZDZTESSA-N 1 1 361.461 2.502 50 30 FFEAMO C#CCC[NH+]1CCN(C(=O)CCc2ncc(-c3ccc(C)cc3)o2)CC1 ZINC000058186161 518248655 /nfs/dbraw/zinc/24/86/55/518248655.db2.gz SSHKZADLWISWBG-UHFFFAOYSA-N 1 1 351.450 2.750 50 30 FFEAMO C#CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000042713952 518272101 /nfs/dbraw/zinc/27/21/01/518272101.db2.gz CLSFQZMANGTOAY-DNVCBOLYSA-N 1 1 353.466 2.700 50 30 FFEAMO C#CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000042713952 518272106 /nfs/dbraw/zinc/27/21/06/518272106.db2.gz CLSFQZMANGTOAY-DNVCBOLYSA-N 1 1 353.466 2.700 50 30 FFEAMO N#Cc1ccc(C[N@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cc1 ZINC000082126861 526613282 /nfs/dbraw/zinc/61/32/82/526613282.db2.gz NUTHHNJCGDGBCL-UHFFFAOYSA-N 1 1 363.465 2.577 50 30 FFEAMO N#Cc1ccc(C[N@@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cc1 ZINC000082126861 526613285 /nfs/dbraw/zinc/61/32/85/526613285.db2.gz NUTHHNJCGDGBCL-UHFFFAOYSA-N 1 1 363.465 2.577 50 30 FFEAMO [NH2+]=C(NOC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000004833810 526811355 /nfs/dbraw/zinc/81/13/55/526811355.db2.gz BLLKMNJDKPWHQV-UHFFFAOYSA-N 1 1 364.155 2.835 50 30 FFEAMO CC1(C)Cc2c(C#N)c(NC(=O)CCC[NH+]3CCOCC3)sc2CO1 ZINC000057434700 208504597 /nfs/dbraw/zinc/50/45/97/208504597.db2.gz HDKDQKLPSVUZKI-UHFFFAOYSA-N 1 1 363.483 2.522 50 30 FFEAMO Cc1ccc(C#N)c(N2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)n1 ZINC000065372719 506290142 /nfs/dbraw/zinc/29/01/42/506290142.db2.gz BTZOMAGETXHOKA-UHFFFAOYSA-N 1 1 358.449 2.770 50 30 FFEAMO C=CC[N@H+]1CC[C@@H](CNC(=O)CCSc2ccc3c(c2)OCCO3)C1 ZINC000065370100 506290333 /nfs/dbraw/zinc/29/03/33/506290333.db2.gz JCXDMDVQMREJCR-HNNXBMFYSA-N 1 1 362.495 2.564 50 30 FFEAMO CSCC[NH+]1CCN(C(=O)c2cccc(-c3ccc(C#N)nc3)c2)CC1 ZINC000534591428 517957211 /nfs/dbraw/zinc/95/72/11/517957211.db2.gz WIVRIXZNUDAXRH-UHFFFAOYSA-N 1 1 366.490 2.741 50 30 FFEAMO C=CCn1ncc(C[N@H+]2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1C ZINC001529167856 1062199529 /nfs/dbraw/zinc/19/95/29/1062199529.db2.gz POPJRFABTIEFMR-GCJKJVERSA-N 1 1 362.477 2.961 50 30 FFEAMO C#Cc1cccc(NC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)c1 ZINC000069818605 208122569 /nfs/dbraw/zinc/12/25/69/208122569.db2.gz JNCKYILIKKWDCQ-UHFFFAOYSA-N 1 1 371.444 2.797 50 30 FFEAMO CC(C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1NC(=O)C1CCOCC1 ZINC000092028146 209012403 /nfs/dbraw/zinc/01/24/03/209012403.db2.gz HVHLTTYYLPNJPY-UXHICEINSA-N 1 1 355.482 2.557 50 30 FFEAMO CN(C(=O)CN1CC[N@H+](C)C[C@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000095469108 209055695 /nfs/dbraw/zinc/05/56/95/209055695.db2.gz ZWCFENGPGMEJJH-IBGZPJMESA-N 1 1 354.498 2.660 50 30 FFEAMO CN(C(=O)CN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000095469108 209055698 /nfs/dbraw/zinc/05/56/98/209055698.db2.gz ZWCFENGPGMEJJH-IBGZPJMESA-N 1 1 354.498 2.660 50 30 FFEAMO Cc1ccc(C#N)c(N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC(C)C)n1 ZINC000091829316 132204081 /nfs/dbraw/zinc/20/40/81/132204081.db2.gz JYOJAPJNTXIWKQ-UHFFFAOYSA-N 1 1 364.497 2.995 50 30 FFEAMO COc1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)c(OC)c1OC ZINC000019771326 263376355 /nfs/dbraw/zinc/37/63/55/263376355.db2.gz LJGNYSMRPNCQDB-PXLXIMEGSA-N 1 1 369.465 2.864 50 30 FFEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067443026 506882906 /nfs/dbraw/zinc/88/29/06/506882906.db2.gz AKFJMOOKHHWFHG-OAHLLOKOSA-N 1 1 374.448 2.808 50 30 FFEAMO C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012702580 506889300 /nfs/dbraw/zinc/88/93/00/506889300.db2.gz XZRNDUFRNLSZRH-GOSISDBHSA-N 1 1 361.530 2.524 50 30 FFEAMO N#Cc1c(N)nc(C2CC2)cc1-c1ccccc1OCC[NH+]1CCOCC1 ZINC000067894006 507045171 /nfs/dbraw/zinc/04/51/71/507045171.db2.gz NZWGLSQFWBPYMV-UHFFFAOYSA-N 1 1 364.449 2.791 50 30 FFEAMO C[C@H](C(=O)N1CCCCCC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406363 507253596 /nfs/dbraw/zinc/25/35/96/507253596.db2.gz MQUVHEDNGFTCBK-LJQANCHMSA-N 1 1 368.525 2.857 50 30 FFEAMO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021406363 507253603 /nfs/dbraw/zinc/25/36/03/507253603.db2.gz MQUVHEDNGFTCBK-LJQANCHMSA-N 1 1 368.525 2.857 50 30 FFEAMO C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021406363 507253611 /nfs/dbraw/zinc/25/36/11/507253611.db2.gz MQUVHEDNGFTCBK-LJQANCHMSA-N 1 1 368.525 2.857 50 30 FFEAMO N#Cc1ccc(NC(=O)CCC[N@@H+]2CCOc3ccc(CO)cc3C2)cc1 ZINC000244764168 509868743 /nfs/dbraw/zinc/86/87/43/509868743.db2.gz PCNJLXKFCKFOPN-UHFFFAOYSA-N 1 1 365.433 2.664 50 30 FFEAMO CO[C@H]1CN(C2CC[NH+](Cc3ccccc3C#N)CC2)[C@H]1c1cccnc1 ZINC000575555005 518231852 /nfs/dbraw/zinc/23/18/52/518231852.db2.gz JIHCOBXDIOLORP-VXKWHMMOSA-N 1 1 362.477 2.990 50 30 FFEAMO COc1ccc(C(=[NH2+])NOC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000004986285 523366970 /nfs/dbraw/zinc/36/69/70/523366970.db2.gz HKHZJGRKRDOBCJ-NSHDSACASA-N 1 1 373.365 2.579 50 30 FFEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)s1 ZINC000820608269 998465621 /nfs/dbraw/zinc/46/56/21/998465621.db2.gz IUOPPAWAJDYOLV-KRWDZBQOSA-N 1 1 362.539 2.557 50 30 FFEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)CC(OC)OC)[C@H]3C[C@@H]12 ZINC000035361866 207135493 /nfs/dbraw/zinc/13/54/93/207135493.db2.gz YHZOBPBMQMCRTE-YNIGFRRXSA-N 1 1 351.487 2.851 50 30 biogenic FFEAMO C[NH+]1CCN([C@H](CNC(=O)Nc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000032779435 208043834 /nfs/dbraw/zinc/04/38/34/208043834.db2.gz JHGADFFXSSXIGW-QGZVFWFLSA-N 1 1 369.494 2.730 50 30 FFEAMO CCCCOc1ccc(Br)cc1C(C)=NNC1=[NH+]CCN1 ZINC000004696910 263336789 /nfs/dbraw/zinc/33/67/89/263336789.db2.gz RXMDCSNWVQQFHW-YBFXNURJSA-N 1 1 353.264 2.901 50 30 FFEAMO COc1ccc(C(=[NH2+])NOC(=O)COc2ccc(C)cc2C)cc1OC ZINC000003906044 506351927 /nfs/dbraw/zinc/35/19/27/506351927.db2.gz SCQSBNKLAGEIPZ-UHFFFAOYSA-N 1 1 358.394 2.563 50 30 FFEAMO O=C(N1CC[N@H+]2CCC[C@H]2C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000053332872 506356218 /nfs/dbraw/zinc/35/62/18/506356218.db2.gz YSEDKLFURRHTDJ-ZETCQYMHSA-N 1 1 372.231 2.761 50 30 FFEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1C ZINC000036104652 506395890 /nfs/dbraw/zinc/39/58/90/506395890.db2.gz NPWVBHVGODBTPL-FQEVSTJZSA-N 1 1 367.445 2.737 50 30 FFEAMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)NCC)C2)cc1OC ZINC000055199734 506697208 /nfs/dbraw/zinc/69/72/08/506697208.db2.gz LHSDXZPQVYFSRE-CQSZACIVSA-N 1 1 352.862 2.871 50 30 FFEAMO C=CCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000014968205 507008608 /nfs/dbraw/zinc/00/86/08/507008608.db2.gz QSQSPOVIWSDMJZ-HXUWFJFHSA-N 1 1 367.537 2.632 50 30 FFEAMO C=CCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000014968205 507008612 /nfs/dbraw/zinc/00/86/12/507008612.db2.gz QSQSPOVIWSDMJZ-HXUWFJFHSA-N 1 1 367.537 2.632 50 30 FFEAMO CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](COC)Cc1ccccc1 ZINC000229384091 509424347 /nfs/dbraw/zinc/42/43/47/509424347.db2.gz JWMSSXWFSFPMTJ-NHCUHLMSSA-N 1 1 368.477 2.878 50 30 FFEAMO N#Cc1ccc(-c2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3CO)cc2)cc1 ZINC000426734157 514027857 /nfs/dbraw/zinc/02/78/57/514027857.db2.gz SKHDZIWCNAIJAR-OAQYLSRUSA-N 1 1 363.461 2.802 50 30 FFEAMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000584897068 518529040 /nfs/dbraw/zinc/52/90/40/518529040.db2.gz VGQVUKJOMSNQPD-QGZVFWFLSA-N 1 1 369.513 2.510 50 30 FFEAMO COc1ccc(C(=[NH2+])NOC(=O)[C@@H](C)Oc2ccccc2C)cc1OC ZINC000004833406 523367932 /nfs/dbraw/zinc/36/79/32/523367932.db2.gz RHLZEBGXDPCMHI-CYBMUJFWSA-N 1 1 358.394 2.643 50 30 FFEAMO CC(C)(O)C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000670460955 571356878 /nfs/dbraw/zinc/35/68/78/571356878.db2.gz ZRPAHEQCLHOLNG-OAHLLOKOSA-N 1 1 372.490 2.858 50 30 FFEAMO CC(C)(O)C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000670460955 571356879 /nfs/dbraw/zinc/35/68/79/571356879.db2.gz ZRPAHEQCLHOLNG-OAHLLOKOSA-N 1 1 372.490 2.858 50 30 FFEAMO OCC[C@H]1CN(CC#Cc2ccccc2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000020205992 210156927 /nfs/dbraw/zinc/15/69/27/210156927.db2.gz VWUCBXXXIYMUNT-QFIPXVFZSA-N 1 1 352.453 2.746 50 30 FFEAMO OCC[C@H]1CN(CC#Cc2ccccc2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000020205992 210156932 /nfs/dbraw/zinc/15/69/32/210156932.db2.gz VWUCBXXXIYMUNT-QFIPXVFZSA-N 1 1 352.453 2.746 50 30 FFEAMO C=CCN1CC[C@@]2(CN(Cc3cc(F)cc(F)c3)CC[N@@H+]2C)CCC1=O ZINC000107418535 210139735 /nfs/dbraw/zinc/13/97/35/210139735.db2.gz ZGRCVKNXKRTCEF-HXUWFJFHSA-N 1 1 363.452 2.650 50 30 FFEAMO C=CCN1CC[C@]2(CN(C(=O)Nc3ccccc3F)CC[N@@H+]2C)CCC1=O ZINC000095354107 210083988 /nfs/dbraw/zinc/08/39/88/210083988.db2.gz LXBPNFJTVWNHJV-FQEVSTJZSA-N 1 1 374.460 2.542 50 30 FFEAMO C=C(C)C[N@H+](CC)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000040161504 210045056 /nfs/dbraw/zinc/04/50/56/210045056.db2.gz HBOQKPLUUHKYAP-GOSISDBHSA-N 1 1 357.454 2.756 50 30 FFEAMO C=C(C)C[N@H+](CC)CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000040161504 210045043 /nfs/dbraw/zinc/04/50/43/210045043.db2.gz HBOQKPLUUHKYAP-GOSISDBHSA-N 1 1 357.454 2.756 50 30 FFEAMO C=C(C)C[N@@H+](CC)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000040161504 210045054 /nfs/dbraw/zinc/04/50/54/210045054.db2.gz HBOQKPLUUHKYAP-GOSISDBHSA-N 1 1 357.454 2.756 50 30 FFEAMO Cc1ccc(NC(=O)N2CCCC[C@@H]2CCN2CC[NH+](C)CC2)cc1C#N ZINC000299776821 210021434 /nfs/dbraw/zinc/02/14/34/210021434.db2.gz DFPYKSFNRTVWKF-HXUWFJFHSA-N 1 1 369.513 2.891 50 30 FFEAMO CC[NH+]1CCN(c2oc(/C=C/c3ccc(OC)c(OC)c3)nc2C#N)CC1 ZINC000008226929 210776095 /nfs/dbraw/zinc/77/60/95/210776095.db2.gz FCFYENLSVWLDSX-SOFGYWHQSA-N 1 1 368.437 2.876 50 30 FFEAMO CCOC(=O)C(CC#CC[N@H+]1CCCC[C@H]1c1cccnc1)C(=O)OCC ZINC000061999400 221138105 /nfs/dbraw/zinc/13/81/05/221138105.db2.gz BJQPESVQPROFRD-IBGZPJMESA-N 1 1 372.465 2.745 50 30 biogenic FFEAMO N#Cc1ccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1 ZINC000071750165 221362303 /nfs/dbraw/zinc/36/23/03/221362303.db2.gz QHLZYFAKGPYYSO-LJQANCHMSA-N 1 1 366.509 2.513 50 30 FFEAMO C[NH+](C)[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000091756776 132203765 /nfs/dbraw/zinc/20/37/65/132203765.db2.gz WLRXLVYNEKKZFQ-FQEVSTJZSA-N 1 1 366.440 2.649 50 30 FFEAMO C[C@@H]1C[C@@](O)(C#CCOc2ccc(Br)cc2)[C@H](C)C[N@H+]1C ZINC000001885209 506271018 /nfs/dbraw/zinc/27/10/18/506271018.db2.gz BZEJSCRBMDUORW-CPUCHLNUSA-N 1 1 352.272 2.923 50 30 FFEAMO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCOCC2)C3=O)cc1 ZINC000091548214 507991919 /nfs/dbraw/zinc/99/19/19/507991919.db2.gz IFVRCWDLRFLTMZ-NRFANRHFSA-N 1 1 353.466 2.552 50 30 FFEAMO Cn1cc[nH+]c1N1CCC(Nc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000170613079 509681103 /nfs/dbraw/zinc/68/11/03/509681103.db2.gz KQYBPLUGSSIGQQ-UHFFFAOYSA-N 1 1 350.348 2.786 50 30 FFEAMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000007266517 519032414 /nfs/dbraw/zinc/03/24/14/519032414.db2.gz BUARLRAEJFEREV-HNNXBMFYSA-N 1 1 367.449 2.809 50 30 FFEAMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000007266517 519032420 /nfs/dbraw/zinc/03/24/20/519032420.db2.gz BUARLRAEJFEREV-HNNXBMFYSA-N 1 1 367.449 2.809 50 30 FFEAMO CCOC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000082117429 521299205 /nfs/dbraw/zinc/29/92/05/521299205.db2.gz KKCXLTDHQXIDPD-AWEZNQCLSA-N 1 1 364.442 2.957 50 30 FFEAMO COc1cccc(C[N@@H+]2CCN(CC#Cc3ccccc3)C[C@H]2CCO)c1 ZINC000104528822 525945976 /nfs/dbraw/zinc/94/59/76/525945976.db2.gz UWPXKPVLKYGNGE-JOCHJYFZSA-N 1 1 364.489 2.616 50 30 FFEAMO COc1cccc(C[N@H+]2CCN(CC#Cc3ccccc3)C[C@H]2CCO)c1 ZINC000104528822 525945982 /nfs/dbraw/zinc/94/59/82/525945982.db2.gz UWPXKPVLKYGNGE-JOCHJYFZSA-N 1 1 364.489 2.616 50 30 FFEAMO C[N@@H+](Cc1cc(C#CCO)cs1)CC1(N2CCOCC2)CCCCC1 ZINC000828644611 999577306 /nfs/dbraw/zinc/57/73/06/999577306.db2.gz LRJAJTIDCOMUPE-UHFFFAOYSA-N 1 1 362.539 2.559 50 30 FFEAMO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([N@H+](C)Cc1nc(C)cs1)C2 ZINC000014533678 1021652750 /nfs/dbraw/zinc/65/27/50/1021652750.db2.gz IDHHNVDILRHZDM-CQSZACIVSA-N 1 1 373.526 2.525 50 30 FFEAMO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([N@@H+](C)Cc1nc(C)cs1)C2 ZINC000014533678 1021652756 /nfs/dbraw/zinc/65/27/56/1021652756.db2.gz IDHHNVDILRHZDM-CQSZACIVSA-N 1 1 373.526 2.525 50 30 FFEAMO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([N@@H+](C)Cc1cccs1)C2 ZINC000014748484 210145300 /nfs/dbraw/zinc/14/53/00/210145300.db2.gz GPZMYXHFFAIKCS-AWEZNQCLSA-N 1 1 358.511 2.822 50 30 FFEAMO COC[C@H]1CCC[N@H+]1Cc1cccc(C(=O)Nc2ccc(C#N)nc2)c1 ZINC000067434038 221254509 /nfs/dbraw/zinc/25/45/09/221254509.db2.gz RKKVFPMYSGJTSF-LJQANCHMSA-N 1 1 350.422 2.816 50 30 FFEAMO N#Cc1ccccc1CN1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071738547 221357225 /nfs/dbraw/zinc/35/72/25/221357225.db2.gz QZTGEGAWRNRQBW-LJQANCHMSA-N 1 1 366.509 2.513 50 30 FFEAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NC1CCN(c2ncccc2C#N)CC1 ZINC000095526680 132214536 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Cc1[nH]c(=O)c(C#N)cc1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000072170092 507768731 /nfs/dbraw/zinc/76/87/31/507768731.db2.gz CFXHZRFXTDFXAS-QGZVFWFLSA-N 1 1 356.470 2.742 50 30 FFEAMO Cc1[nH]c(=O)c(C#N)cc1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000072170092 507768734 /nfs/dbraw/zinc/76/87/34/507768734.db2.gz CFXHZRFXTDFXAS-QGZVFWFLSA-N 1 1 356.470 2.742 50 30 FFEAMO C=CCC[NH+]1CCC(c2nc(CNC(=O)OCc3ccccc3)n[nH]2)CC1 ZINC000585138592 518546206 /nfs/dbraw/zinc/54/62/06/518546206.db2.gz JPWUHCFANLASLE-UHFFFAOYSA-N 1 1 369.469 2.987 50 30 FFEAMO C=CCNC(=O)c1cccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000034684240 518937462 /nfs/dbraw/zinc/93/74/62/518937462.db2.gz DKWFLYNILDHIQL-UHFFFAOYSA-N 1 1 365.477 2.933 50 30 biogenic FFEAMO N#C[C@@H]1C(=O)Nn2c(N)[nH+]c(-c3ccccc3)c2[C@H]1c1ccc(Cl)cc1 ZINC000618257296 520968211 /nfs/dbraw/zinc/96/82/11/520968211.db2.gz UNDPHQIIQMHCMN-GJZGRUSLSA-N 1 1 363.808 2.971 50 30 FFEAMO C=CCNC(=O)C[N@@H+]1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000011284706 210140613 /nfs/dbraw/zinc/14/06/13/210140613.db2.gz UBJIOKBNGKCWFK-OAHLLOKOSA-N 1 1 356.466 2.948 50 30 FFEAMO C=CCNC(=O)C[N@H+]1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000011284706 210140619 /nfs/dbraw/zinc/14/06/19/210140619.db2.gz UBJIOKBNGKCWFK-OAHLLOKOSA-N 1 1 356.466 2.948 50 30 FFEAMO CCC[N@H+]1CCc2nc(N)c(C#N)c(-c3ccc(OC)c(OC)c3)c2C1 ZINC000018241840 211196297 /nfs/dbraw/zinc/19/62/97/211196297.db2.gz OVDMDRKRPDBWKJ-UHFFFAOYSA-N 1 1 352.438 2.988 50 30 FFEAMO C=CC[NH+]1CCN(c2nc(SC)c(C#N)c3c2COC(C)(C)C3)CC1 ZINC000095472062 132304586 /nfs/dbraw/zinc/30/45/86/132304586.db2.gz XUSGHEFWXBHUTE-UHFFFAOYSA-N 1 1 358.511 2.834 50 30 FFEAMO C=CCc1cc(C[NH+]2CCN(c3ncnc(C)c3C)CC2)cc(OC)c1O ZINC000065452914 506302523 /nfs/dbraw/zinc/30/25/23/506302523.db2.gz ITXZNKJDXQJGPS-UHFFFAOYSA-N 1 1 368.481 2.858 50 30 FFEAMO C[N@H+](CC(=O)NCCc1cccc2cccnc21)Cc1ccc(C#N)cc1 ZINC000046529630 507149891 /nfs/dbraw/zinc/14/98/91/507149891.db2.gz YZIUHBDGLFCVDM-UHFFFAOYSA-N 1 1 358.445 2.897 50 30 FFEAMO C[N@@H+](CC(=O)NCCc1cccc2cccnc21)Cc1ccc(C#N)cc1 ZINC000046529630 507149893 /nfs/dbraw/zinc/14/98/93/507149893.db2.gz YZIUHBDGLFCVDM-UHFFFAOYSA-N 1 1 358.445 2.897 50 30 FFEAMO CC(C)(CNS(=O)(=O)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000028059809 507706900 /nfs/dbraw/zinc/70/69/00/507706900.db2.gz FXNZKTDVMJHNMU-UHFFFAOYSA-N 1 1 369.490 2.673 50 30 FFEAMO CC(C)(CNS(=O)(=O)c1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000028059809 507706907 /nfs/dbraw/zinc/70/69/07/507706907.db2.gz FXNZKTDVMJHNMU-UHFFFAOYSA-N 1 1 369.490 2.673 50 30 FFEAMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1ccsc1 ZINC000030435325 507808770 /nfs/dbraw/zinc/80/87/70/507808770.db2.gz QKUASPGJOHPXKX-QGZVFWFLSA-N 1 1 363.508 2.981 50 30 FFEAMO C#CCOC[C@@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc2c(c1)OCO2 ZINC000036101942 518302871 /nfs/dbraw/zinc/30/28/71/518302871.db2.gz MDYCCQRPHNAUII-FQEVSTJZSA-N 1 1 367.445 2.737 50 30 FFEAMO C=CC[N@H+]1[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N[C@@H]2CCCC[C@H]21 ZINC000239212623 518872739 /nfs/dbraw/zinc/87/27/39/518872739.db2.gz TVERLAUBMYZBFH-BRWVUGGUSA-N 1 1 361.873 2.966 50 30 FFEAMO C=CC[N@@H+]1[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N[C@@H]2CCCC[C@H]21 ZINC000239212623 518872743 /nfs/dbraw/zinc/87/27/43/518872743.db2.gz TVERLAUBMYZBFH-BRWVUGGUSA-N 1 1 361.873 2.966 50 30 FFEAMO N#C[C@H]1C(=O)Nn2c(N)[nH+]c(-c3ccccc3)c2[C@H]1c1ccc(Cl)cc1 ZINC000618257295 520967798 /nfs/dbraw/zinc/96/77/98/520967798.db2.gz UNDPHQIIQMHCMN-CABCVRRESA-N 1 1 363.808 2.971 50 30 FFEAMO COC[C@H]1C[N@H+](C2CCC2)CC12CCN(C(=O)c1cccc(C#N)c1)CC2 ZINC000169782572 984967667 /nfs/dbraw/zinc/96/76/67/984967667.db2.gz HKUSOBDKBKHAME-LJQANCHMSA-N 1 1 367.493 2.911 50 30 FFEAMO Cc1noc([C@@H]2CC3(C[N@H+]2C)CCN(C(=O)c2ccc(C#N)cc2)CC3)n1 ZINC000581803193 999947460 /nfs/dbraw/zinc/94/74/60/999947460.db2.gz WEXQVULJMHKXNP-KRWDZBQOSA-N 1 1 365.437 2.549 50 30 FFEAMO Cc1noc([C@@H]2CC3(C[N@@H+]2C)CCN(C(=O)c2ccc(C#N)cc2)CC3)n1 ZINC000581803193 999947461 /nfs/dbraw/zinc/94/74/61/999947461.db2.gz WEXQVULJMHKXNP-KRWDZBQOSA-N 1 1 365.437 2.549 50 30 FFEAMO COC(=O)c1ccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000033321939 506355760 /nfs/dbraw/zinc/35/57/60/506355760.db2.gz DRKJCKMXAOHFGA-PXLXIMEGSA-N 1 1 351.450 2.933 50 30 FFEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000008225963 506633792 /nfs/dbraw/zinc/63/37/92/506633792.db2.gz VKLBNWIYVWJFNU-AWEZNQCLSA-N 1 1 351.406 2.788 50 30 FFEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000008225963 506633796 /nfs/dbraw/zinc/63/37/96/506633796.db2.gz VKLBNWIYVWJFNU-AWEZNQCLSA-N 1 1 351.406 2.788 50 30 FFEAMO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)c1 ZINC000095527252 508196400 /nfs/dbraw/zinc/19/64/00/508196400.db2.gz QFIDCCUUMAUJOW-FUHWJXTLSA-N 1 1 352.463 2.638 50 30 FFEAMO C=CCN1CC2(CCC1=O)CCN(C(=O)C[C@H](C)n1cc[nH+]c1C)CC2 ZINC000091440877 518857517 /nfs/dbraw/zinc/85/75/17/518857517.db2.gz JMGBVZXSQXLNRH-INIZCTEOSA-N 1 1 358.486 2.560 50 30 FFEAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000329657333 971632381 /nfs/dbraw/zinc/63/23/81/971632381.db2.gz GSWMBNYWFHWZNM-APWZRJJASA-N 1 1 372.513 2.685 50 30 FFEAMO COCCCn1c(C)c[nH+]c1[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000581816035 999949217 /nfs/dbraw/zinc/94/92/17/999949217.db2.gz MHGBSRPPIZDPJS-GOSISDBHSA-N 1 1 352.438 2.729 50 30 FFEAMO N#Cc1cccnc1-c1cccc(-c2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000019638993 211243073 /nfs/dbraw/zinc/24/30/73/211243073.db2.gz QTBCSXJTJMPZOH-UHFFFAOYSA-N 1 1 359.433 2.816 50 30 FFEAMO [NH2+]=C(NOC(=O)c1ccc(I)cc1)c1ccccc1 ZINC000004685142 506387796 /nfs/dbraw/zinc/38/77/96/506387796.db2.gz WDZFULNDSXZULP-UHFFFAOYSA-N 1 1 366.158 2.769 50 30 FFEAMO [NH2+]=C(NOC(=O)c1ccccc1I)c1ccccc1 ZINC000004901974 506404204 /nfs/dbraw/zinc/40/42/04/506404204.db2.gz MOKRZJGJZOIINF-UHFFFAOYSA-N 1 1 366.158 2.769 50 30 FFEAMO Cc1[nH]c(=O)c(C#N)cc1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000072170093 507769315 /nfs/dbraw/zinc/76/93/15/507769315.db2.gz CFXHZRFXTDFXAS-KRWDZBQOSA-N 1 1 356.470 2.742 50 30 FFEAMO Cc1[nH]c(=O)c(C#N)cc1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000072170093 507769317 /nfs/dbraw/zinc/76/93/17/507769317.db2.gz CFXHZRFXTDFXAS-KRWDZBQOSA-N 1 1 356.470 2.742 50 30 FFEAMO C#CC[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000229488969 509424760 /nfs/dbraw/zinc/42/47/60/509424760.db2.gz PCYVENZFBHTEBA-ZWKOTPCHSA-N 1 1 364.848 2.867 50 30 FFEAMO C#CC[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000229488969 509424771 /nfs/dbraw/zinc/42/47/71/509424771.db2.gz PCYVENZFBHTEBA-ZWKOTPCHSA-N 1 1 364.848 2.867 50 30 FFEAMO Cc1c[nH+]c(C[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1C1CC1 ZINC000257195592 509955527 /nfs/dbraw/zinc/95/55/27/509955527.db2.gz WLIKJDCJSLMENH-INIZCTEOSA-N 1 1 370.478 2.651 50 30 FFEAMO CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000329054301 511973683 /nfs/dbraw/zinc/97/36/83/511973683.db2.gz XJUXJSRPDWXPTP-BPQIPLTHSA-N 1 1 367.497 2.880 50 30 FFEAMO CC(C)(O)C#Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC001506412286 1059500726 /nfs/dbraw/zinc/50/07/26/1059500726.db2.gz BNBNEZRZKXKEBA-SFHVURJKSA-N 1 1 354.494 2.803 50 30 FFEAMO C=CCOc1ccc(C[N@@H+]2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)cc1Cl ZINC001529126399 1062178426 /nfs/dbraw/zinc/17/84/26/1062178426.db2.gz ISZUTIPLCKMMOS-CRAIPNDOSA-N 1 1 361.873 2.972 50 30 FFEAMO C=CCOc1ccc(C[N@H+]2C[C@@H](Cc3cc(C)[nH]n3)[C@H](O)C2)cc1Cl ZINC001529126399 1062178434 /nfs/dbraw/zinc/17/84/34/1062178434.db2.gz ISZUTIPLCKMMOS-CRAIPNDOSA-N 1 1 361.873 2.972 50 30 FFEAMO C=CCOc1ccc(C[N@@H+]2C[C@@H](Cc3cc(C)[nH]n3)[C@H](O)C2)cc1Cl ZINC001529126399 1062178439 /nfs/dbraw/zinc/17/84/39/1062178439.db2.gz ISZUTIPLCKMMOS-CRAIPNDOSA-N 1 1 361.873 2.972 50 30 FFEAMO C=CCOc1ccc(C[N@H+]2C[C@@H](Cc3cnccn3)[C@H](O)C2)cc1Cl ZINC001529153547 1062192435 /nfs/dbraw/zinc/19/24/35/1062192435.db2.gz FPLQTYBGTDWGBA-CRAIPNDOSA-N 1 1 359.857 2.730 50 30 FFEAMO C=CCN1CC[C@@]2(CN(Cc3ccc(OCC)cc3)CC[N@H+]2C)CCC1=O 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Cc1c(C#N)c(=O)[nH]cc1C(=O)N(C)CC1([NH+]2CCCCC2)CCCCC1 ZINC000072478718 507797276 /nfs/dbraw/zinc/79/72/76/507797276.db2.gz ABLQKVQTQULYKN-UHFFFAOYSA-N 1 1 370.497 2.816 50 30 FFEAMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccc(C#N)c1)c1ccsc1 ZINC000030435336 507808712 /nfs/dbraw/zinc/80/87/12/507808712.db2.gz BBRSJQAJYYITPL-QGZVFWFLSA-N 1 1 363.508 2.981 50 30 FFEAMO CC(C)(O)C#Cc1cccc(C(=O)NCCC2=CSC3=[NH+]CCCN23)c1 ZINC000101768789 508256399 /nfs/dbraw/zinc/25/63/99/508256399.db2.gz QKWFBBNDBPGGDP-UHFFFAOYSA-N 1 1 369.490 2.579 50 30 FFEAMO Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)C[N@H+]2CCCC[C@H]2C)c1C#N ZINC000248063368 509229153 /nfs/dbraw/zinc/22/91/53/509229153.db2.gz DNIXNUVBBVJQOI-RHSMWYFYSA-N 1 1 358.486 2.969 50 30 FFEAMO Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)C[N@@H+]2CCCC[C@H]2C)c1C#N ZINC000248063368 509229155 /nfs/dbraw/zinc/22/91/55/509229155.db2.gz DNIXNUVBBVJQOI-RHSMWYFYSA-N 1 1 358.486 2.969 50 30 FFEAMO C#CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000230086284 518270537 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2.538 50 30 FFEAMO COc1ccc(-c2cc(=O)[nH]c(NC(=[NH2+])Nc3ccc(F)cc3)n2)cc1 ZINC000018222494 263373398 /nfs/dbraw/zinc/37/33/98/263373398.db2.gz YUFLIJOAKNUTJJ-UHFFFAOYSA-N 1 1 353.357 2.643 50 30 FFEAMO N#Cc1ccc(C[NH+]2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000040105799 506468732 /nfs/dbraw/zinc/46/87/32/506468732.db2.gz FJAWFYPDBIRJTR-UHFFFAOYSA-N 1 1 366.421 2.663 50 30 FFEAMO N#Cc1ccc(CN2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000040105799 506468735 /nfs/dbraw/zinc/46/87/35/506468735.db2.gz FJAWFYPDBIRJTR-UHFFFAOYSA-N 1 1 366.421 2.663 50 30 FFEAMO Cc1ccc(C)c(-c2n[nH]cc2C[NH+]2CCN(c3nccnc3C#N)CC2)c1 ZINC000067885956 507038026 /nfs/dbraw/zinc/03/80/26/507038026.db2.gz FCWXYIJPOASTIP-UHFFFAOYSA-N 1 1 373.464 2.677 50 30 FFEAMO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000069946376 507589577 /nfs/dbraw/zinc/58/95/77/507589577.db2.gz ITKYYTCGZGUXBC-UHFFFAOYSA-N 1 1 368.359 2.673 50 30 FFEAMO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000069946376 507589587 /nfs/dbraw/zinc/58/95/87/507589587.db2.gz ITKYYTCGZGUXBC-UHFFFAOYSA-N 1 1 368.359 2.673 50 30 FFEAMO N#Cc1nc(-c2ccccc2)oc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000027562723 507663817 /nfs/dbraw/zinc/66/38/17/507663817.db2.gz MTZLOBWZIVAFGN-UHFFFAOYSA-N 1 1 359.433 2.973 50 30 FFEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103571 518993875 /nfs/dbraw/zinc/99/38/75/518993875.db2.gz DCGOAUWTXWZBIN-LJQANCHMSA-N 1 1 355.434 2.981 50 30 FFEAMO C[C@@H]1C[N@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)C[C@H](C)O1 ZINC000252695393 524965363 /nfs/dbraw/zinc/96/53/63/524965363.db2.gz ZHQRYBIJOKTXQH-YEPMRCTPSA-N 1 1 363.498 2.623 50 30 biogenic FFEAMO COC[C@H]1C[N@H+](C2CCC2)CC12CCN(C(=O)c1ccc(C#N)cc1)CC2 ZINC000581801253 999945809 /nfs/dbraw/zinc/94/58/09/999945809.db2.gz UBTVRHAAZGTOGF-LJQANCHMSA-N 1 1 367.493 2.911 50 30 FFEAMO O=C(NCC#CC[N@@H+]1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000077197640 205037659 /nfs/dbraw/zinc/03/76/59/205037659.db2.gz IDTUVMPNIWFSGS-UHFFFAOYSA-N 1 1 373.250 2.834 50 30 FFEAMO O=C(NCC#CC[N@H+]1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000077197640 205037664 /nfs/dbraw/zinc/03/76/64/205037664.db2.gz IDTUVMPNIWFSGS-UHFFFAOYSA-N 1 1 373.250 2.834 50 30 FFEAMO C[C@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000033312376 506355488 /nfs/dbraw/zinc/35/54/88/506355488.db2.gz PWFPGAQYQDCVLB-INIZCTEOSA-N 1 1 361.511 2.691 50 30 FFEAMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000039935292 506455514 /nfs/dbraw/zinc/45/55/14/506455514.db2.gz FICIMXSCGGANEH-UHFFFAOYSA-N 1 1 366.440 2.844 50 30 FFEAMO C=CC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3nc(C(C)C)no3)CC2)C1 ZINC000584901544 518530900 /nfs/dbraw/zinc/53/09/00/518530900.db2.gz CHOJPDUGCNKAGJ-HNNXBMFYSA-N 1 1 361.490 2.590 50 30 FFEAMO CC(C)(O)C#Cc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)cc1 ZINC000104364096 206238001 /nfs/dbraw/zinc/23/80/01/206238001.db2.gz CUJJEJIKUSSUIX-OAQYLSRUSA-N 1 1 372.553 2.724 50 30 FFEAMO C=C(C)CNC(=O)c1cccc(OC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000019223726 507160666 /nfs/dbraw/zinc/16/06/66/507160666.db2.gz JUKOQQAKUKMTIS-UHFFFAOYSA-N 1 1 371.525 2.930 50 30 FFEAMO C[NH+](C)Cc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)ccc1[O-] ZINC000071747846 507710989 /nfs/dbraw/zinc/71/09/89/507710989.db2.gz MWFZRQPEGBXABM-WMLDXEAASA-N 1 1 363.465 2.661 50 30 FFEAMO COc1ccc([C@@H]2C[N@H+](Cc3ccc(C#CCO)s3)C[C@H]2N(C)C)cc1 ZINC000095506702 508192147 /nfs/dbraw/zinc/19/21/47/508192147.db2.gz YOSOLZFVRVWBHB-LEWJYISDSA-N 1 1 370.518 2.630 50 30 FFEAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(C#CCO)s3)C[C@H]2N(C)C)cc1 ZINC000095506702 508192148 /nfs/dbraw/zinc/19/21/48/508192148.db2.gz YOSOLZFVRVWBHB-LEWJYISDSA-N 1 1 370.518 2.630 50 30 FFEAMO Cc1cccnc1CN1CC[NH+](Cc2ccc(C#CC(C)(C)O)cc2)CC1 ZINC000215188552 509244916 /nfs/dbraw/zinc/24/49/16/509244916.db2.gz WJHYGLQNVQZOQF-UHFFFAOYSA-N 1 1 363.505 2.830 50 30 FFEAMO Cc1cccnc1C[NH+]1CCN(Cc2ccc(C#CC(C)(C)O)cc2)CC1 ZINC000215188552 509244921 /nfs/dbraw/zinc/24/49/21/509244921.db2.gz WJHYGLQNVQZOQF-UHFFFAOYSA-N 1 1 363.505 2.830 50 30 FFEAMO CCOC(=O)C=C1CCC(C=[NH+]Nc2ccccc2)=C1N1CCOCC1 ZINC000252510572 509847794 /nfs/dbraw/zinc/84/77/94/509847794.db2.gz AGSBDCVWUMDFCN-WNHLMRBKSA-N 1 1 355.438 2.954 50 30 FFEAMO CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000329054303 511973931 /nfs/dbraw/zinc/97/39/31/511973931.db2.gz XJUXJSRPDWXPTP-KBAYOESNSA-N 1 1 367.497 2.880 50 30 FFEAMO CO[C@]12CC[N@@H+](Cc3ccccc3C#N)[C@H]1C[C@H](NC(=O)CSC)CC2 ZINC000534577753 517950423 /nfs/dbraw/zinc/95/04/23/517950423.db2.gz OCJMYNACXUXPHV-WSTZPKSXSA-N 1 1 373.522 2.549 50 30 FFEAMO C#CCOC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000036095782 518312097 /nfs/dbraw/zinc/31/20/97/518312097.db2.gz IECQWYQTXPOHCF-HXUWFJFHSA-N 1 1 369.461 2.717 50 30 FFEAMO COc1ccc(NC(=[NH2+])Nc2nc(-c3ccccc3)cc(=O)[nH]2)c(OC)c1 ZINC000020028220 524379823 /nfs/dbraw/zinc/37/98/23/524379823.db2.gz ZIFMCZAJVSTTRO-UHFFFAOYSA-N 1 1 365.393 2.512 50 30 FFEAMO C=CCNC(=O)N1CCC[C@H]([N@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000014974020 1021732568 /nfs/dbraw/zinc/73/25/68/1021732568.db2.gz YLCGNSFZSBMIAQ-KRWDZBQOSA-N 1 1 361.486 2.538 50 30 FFEAMO OCC#Cc1ccc(C[N@@H+]2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)cc1 ZINC001529105143 1062163481 /nfs/dbraw/zinc/16/34/81/1062163481.db2.gz WUPLHIRZOSAOLD-ZJSXRUAMSA-N 1 1 372.468 2.614 50 30 FFEAMO Cc1c(C[N@H+]2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cc(C#N)n1C ZINC001529119504 1062173108 /nfs/dbraw/zinc/17/31/08/1062173108.db2.gz XJFWZOXTKSYEBP-GCJKJVERSA-N 1 1 360.461 2.789 50 30 FFEAMO O=C(N1CC[N@H+]2CCC[C@@H]2C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000053332876 205191312 /nfs/dbraw/zinc/19/13/12/205191312.db2.gz YSEDKLFURRHTDJ-SSDOTTSWSA-N 1 1 372.231 2.761 50 30 FFEAMO CCCCc1ccc(C[NH+]2CCN(c3ncc(C#N)c(N)n3)CC2)s1 ZINC000065408505 205347967 /nfs/dbraw/zinc/34/79/67/205347967.db2.gz GLXBQFINSOMVGQ-UHFFFAOYSA-N 1 1 356.499 2.657 50 30 FFEAMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067443025 205372019 /nfs/dbraw/zinc/37/20/19/205372019.db2.gz AKFJMOOKHHWFHG-HNNXBMFYSA-N 1 1 374.448 2.808 50 30 FFEAMO C[C@@H]1C[C@@](O)(C#CCOc2ccc(Br)cc2)[C@@H](C)C[N@H+]1C ZINC000013540649 206304848 /nfs/dbraw/zinc/30/48/48/206304848.db2.gz BZEJSCRBMDUORW-VBQJREDUSA-N 1 1 352.272 2.923 50 30 FFEAMO C[C@@]1(O)CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1O ZINC000096153374 508208902 /nfs/dbraw/zinc/20/89/02/508208902.db2.gz WYRMBKUQFMGZPG-LEWJYISDSA-N 1 1 350.462 2.704 50 30 FFEAMO C#CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000042713945 518271248 /nfs/dbraw/zinc/27/12/48/518271248.db2.gz CLSFQZMANGTOAY-KXBFYZLASA-N 1 1 353.466 2.700 50 30 FFEAMO C#CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000042713945 518271251 /nfs/dbraw/zinc/27/12/51/518271251.db2.gz CLSFQZMANGTOAY-KXBFYZLASA-N 1 1 353.466 2.700 50 30 FFEAMO Cn1ccnc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000670462246 571356953 /nfs/dbraw/zinc/35/69/53/571356953.db2.gz BBXOKSNRECMDGO-HNNXBMFYSA-N 1 1 371.506 2.699 50 30 FFEAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(C#CCCO)cc2)C1)NC1CC1 ZINC000012304070 988515888 /nfs/dbraw/zinc/51/58/88/988515888.db2.gz RSRNWPYOMJIYOG-LJQANCHMSA-N 1 1 354.494 2.691 50 30 FFEAMO COc1ccc(OC)c2c1C[N@H+](CCOc1ccc(C#N)cc1)C[C@@H]2O ZINC000053147166 205189964 /nfs/dbraw/zinc/18/99/64/205189964.db2.gz SIXAZDZWGJNUSC-KRWDZBQOSA-N 1 1 354.406 2.503 50 30 FFEAMO COc1ccc(OC)c2c1C[N@@H+](CCOc1ccc(C#N)cc1)C[C@@H]2O ZINC000053147166 205189967 /nfs/dbraw/zinc/18/99/67/205189967.db2.gz SIXAZDZWGJNUSC-KRWDZBQOSA-N 1 1 354.406 2.503 50 30 FFEAMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067443014 205371137 /nfs/dbraw/zinc/37/11/37/205371137.db2.gz KFHUGPHXZXREAC-OAHLLOKOSA-N 1 1 374.448 2.808 50 30 FFEAMO COc1cc2c(cc1-c1c(C#N)c(N)nc3c1[C@H]1CC[C@@H](C3)[N@H+]1C)OCO2 ZINC000067742534 205387085 /nfs/dbraw/zinc/38/70/85/205387085.db2.gz DDAVQUHELZDRIH-IINYFYTJSA-N 1 1 364.405 2.631 50 30 FFEAMO Cc1ccc([C@@H](C(=O)N2CCN(c3ccccc3C#N)CC2)[NH+](C)C)cc1 ZINC000095388433 132210247 /nfs/dbraw/zinc/21/02/47/132210247.db2.gz NJJXLDNHTUFVDN-NRFANRHFSA-N 1 1 362.477 2.818 50 30 FFEAMO Cc1ccc(C[N@H+]2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)cc1 ZINC000072448322 136148248 /nfs/dbraw/zinc/14/82/48/136148248.db2.gz WUVFZUHIBGOTEL-FQEVSTJZSA-N 1 1 350.466 2.643 50 30 FFEAMO C=CCN(C)c1nc(COCC)nc2c1CC[N@@H+](Cc1ccoc1)CC2 ZINC000072421996 263423844 /nfs/dbraw/zinc/42/38/44/263423844.db2.gz KPKOFHAHDVYMPN-UHFFFAOYSA-N 1 1 356.470 2.829 50 30 FFEAMO C[C@@H](C(=O)N1CCCCCC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406367 507254233 /nfs/dbraw/zinc/25/42/33/507254233.db2.gz MQUVHEDNGFTCBK-IBGZPJMESA-N 1 1 368.525 2.857 50 30 FFEAMO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021406367 507254241 /nfs/dbraw/zinc/25/42/41/507254241.db2.gz MQUVHEDNGFTCBK-IBGZPJMESA-N 1 1 368.525 2.857 50 30 FFEAMO C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021406367 507254245 /nfs/dbraw/zinc/25/42/45/507254245.db2.gz MQUVHEDNGFTCBK-IBGZPJMESA-N 1 1 368.525 2.857 50 30 FFEAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccccc1C#N)C2 ZINC000091649958 507999574 /nfs/dbraw/zinc/99/95/74/507999574.db2.gz NPTIWVWGSPIMNZ-SJLPKXTDSA-N 1 1 359.495 2.609 50 30 FFEAMO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000095983169 508200695 /nfs/dbraw/zinc/20/06/95/508200695.db2.gz LCTRQTMSGCDNCQ-GOSISDBHSA-N 1 1 371.481 2.938 50 30 FFEAMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000095983169 508200698 /nfs/dbraw/zinc/20/06/98/508200698.db2.gz LCTRQTMSGCDNCQ-GOSISDBHSA-N 1 1 371.481 2.938 50 30 FFEAMO C=CCNC(=O)CN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000083864129 518888021 /nfs/dbraw/zinc/88/80/21/518888021.db2.gz XQFNNWCROIQYLM-UHFFFAOYSA-N 1 1 369.431 2.904 50 30 FFEAMO COC(=O)c1ccc(/C=N\N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000015659452 521939487 /nfs/dbraw/zinc/93/94/87/521939487.db2.gz DRKJCKMXAOHFGA-JCMHNJIXSA-N 1 1 351.450 2.933 50 30 FFEAMO C[N@@H+](CC#CCNS(=O)(=O)/C=C/c1ccccc1)Cc1ccccc1 ZINC000085470671 522417379 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506460370 /nfs/dbraw/zinc/46/03/70/506460370.db2.gz TUZFIOOJEFDDRO-QGZVFWFLSA-N 1 1 363.461 2.958 50 30 FFEAMO N#Cc1ccc(NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000058173697 507378516 /nfs/dbraw/zinc/37/85/16/507378516.db2.gz DESBAOJWXOPREK-UHFFFAOYSA-N 1 1 370.375 2.677 50 30 FFEAMO CCC[N@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000426719848 514023184 /nfs/dbraw/zinc/02/31/84/514023184.db2.gz KJKVPCJCHKELQQ-SFHVURJKSA-N 1 1 369.513 2.512 50 30 FFEAMO C#CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000042713947 518272014 /nfs/dbraw/zinc/27/20/14/518272014.db2.gz CLSFQZMANGTOAY-BEFAXECRSA-N 1 1 353.466 2.700 50 30 FFEAMO C#CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000042713947 518272025 /nfs/dbraw/zinc/27/20/25/518272025.db2.gz CLSFQZMANGTOAY-BEFAXECRSA-N 1 1 353.466 2.700 50 30 FFEAMO C=CC[N@@H+]1CC[C@H](CNC(=O)N2CCC(Oc3ccccc3OC)CC2)C1 ZINC000584900817 518530974 /nfs/dbraw/zinc/53/09/74/518530974.db2.gz MNDGPEINSDTINB-QGZVFWFLSA-N 1 1 373.497 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/nfs/dbraw/zinc/56/12/26/535561226.db2.gz UMERTMGQIPWFSB-LJQANCHMSA-N 1 1 369.513 2.550 50 30 FFEAMO C=CCN(CC=C)Cc1ccc(OC[C@H](O)C[N@H+](C)C(C)C)c(OC)c1 ZINC000012718882 1014938248 /nfs/dbraw/zinc/93/82/48/1014938248.db2.gz MFADZKBPIPDQPH-LJQANCHMSA-N 1 1 362.514 2.949 50 30 FFEAMO C=CCN(CC=C)Cc1ccc(OC[C@H](O)C[N@@H+](C)C(C)C)c(OC)c1 ZINC000012718882 1014938253 /nfs/dbraw/zinc/93/82/53/1014938253.db2.gz MFADZKBPIPDQPH-LJQANCHMSA-N 1 1 362.514 2.949 50 30 FFEAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(C#CCCO)cc2)C1)NC1CC1 ZINC000012304068 988515451 /nfs/dbraw/zinc/51/54/51/988515451.db2.gz RSRNWPYOMJIYOG-IBGZPJMESA-N 1 1 354.494 2.691 50 30 FFEAMO C[NH+](C)[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000095384490 132209677 /nfs/dbraw/zinc/20/96/77/132209677.db2.gz RLHJBPAXEZQAJU-FQEVSTJZSA-N 1 1 366.440 2.649 50 30 FFEAMO CCOC(=O)c1cc(C#N)c(N2CC[NH+](C)CC2)nc1-c1ccccc1 ZINC000001404274 132381774 /nfs/dbraw/zinc/38/17/74/132381774.db2.gz NGXDEHLJEPUDCL-UHFFFAOYSA-N 1 1 350.422 2.549 50 30 FFEAMO C=CCOC[C@@H](O)C[N@@H+](CC=C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146676 506399723 /nfs/dbraw/zinc/39/97/23/506399723.db2.gz VQDNPYBDEOEKFN-ROUUACIJSA-N 1 1 364.873 2.885 50 30 FFEAMO CC1=C2[C@H]3OC(=O)[C@H](C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000020114038 507213478 /nfs/dbraw/zinc/21/34/78/507213478.db2.gz GDXMPYQBACNJOM-HDHJMGOASA-N 1 1 359.466 2.509 50 30 biogenic FFEAMO CC1=C2[C@H]3OC(=O)[C@H](C[N@H+]4C[C@@H](C)O[C@@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000020114038 507213485 /nfs/dbraw/zinc/21/34/85/507213485.db2.gz GDXMPYQBACNJOM-HDHJMGOASA-N 1 1 359.466 2.509 50 30 biogenic FFEAMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1ccsc1 ZINC000030435320 507808650 /nfs/dbraw/zinc/80/86/50/507808650.db2.gz QKUASPGJOHPXKX-KRWDZBQOSA-N 1 1 363.508 2.981 50 30 FFEAMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ncsc2C(F)(F)F)CC1 ZINC000328780851 511930414 /nfs/dbraw/zinc/93/04/14/511930414.db2.gz UOMCOCYAEKBXQM-UHFFFAOYSA-N 1 1 359.377 2.869 50 30 FFEAMO O=C(NCC[N@@H+]1CC=CCC1)c1cc(Br)c2c(c1)OCCO2 ZINC000329122677 511987707 /nfs/dbraw/zinc/98/77/07/511987707.db2.gz WVECNZMQNLTOCN-UHFFFAOYSA-N 1 1 367.243 2.787 50 30 FFEAMO C#CCN(Cc1ccco1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(C)C)CC2)C1 ZINC000014957960 518262579 /nfs/dbraw/zinc/26/25/79/518262579.db2.gz OLXFFISAHXINJZ-LJQANCHMSA-N 1 1 371.525 2.826 50 30 FFEAMO C#CCN(Cc1ccco1)C(=O)[C@@H]1CCC[N@H+](C2CCN(C(C)C)CC2)C1 ZINC000014957960 518262584 /nfs/dbraw/zinc/26/25/84/518262584.db2.gz OLXFFISAHXINJZ-LJQANCHMSA-N 1 1 371.525 2.826 50 30 FFEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccc(C)o1)Cc1ccc2c(c1)OCO2 ZINC000036097831 518993051 /nfs/dbraw/zinc/99/30/51/518993051.db2.gz ZPFUZPHQMOABLK-QGZVFWFLSA-N 1 1 359.422 2.882 50 30 FFEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccc(C)o1)Cc1ccc2c(c1)OCO2 ZINC000036097831 518993056 /nfs/dbraw/zinc/99/30/56/518993056.db2.gz ZPFUZPHQMOABLK-QGZVFWFLSA-N 1 1 359.422 2.882 50 30 FFEAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(c2ccc(C#N)cn2)CC1 ZINC000095519823 535599869 /nfs/dbraw/zinc/59/98/69/535599869.db2.gz XRTBREZPKDBKKN-IBGZPJMESA-N 1 1 369.513 2.550 50 30 FFEAMO N#Cc1cnc(NC(=O)c2cccc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c2)s1 ZINC000102224336 209233493 /nfs/dbraw/zinc/23/34/93/209233493.db2.gz PRLBYXNDOIJXAY-ZSHCYNCHSA-N 1 1 368.462 2.755 50 30 FFEAMO OCCC#Cc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000065383074 506290857 /nfs/dbraw/zinc/29/08/57/506290857.db2.gz JPFCDWGVQTXZRE-UHFFFAOYSA-N 1 1 361.445 2.884 50 30 FFEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067443011 506882724 /nfs/dbraw/zinc/88/27/24/506882724.db2.gz KFHUGPHXZXREAC-HNNXBMFYSA-N 1 1 374.448 2.808 50 30 FFEAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000014135441 506968878 /nfs/dbraw/zinc/96/88/78/506968878.db2.gz PBONABHGPJAKID-HNNXBMFYSA-N 1 1 360.421 2.770 50 30 FFEAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000014135441 506968885 /nfs/dbraw/zinc/96/88/85/506968885.db2.gz PBONABHGPJAKID-HNNXBMFYSA-N 1 1 360.421 2.770 50 30 FFEAMO COc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)cc2c1OCO2 ZINC000067885794 507037953 /nfs/dbraw/zinc/03/79/53/507037953.db2.gz XEMDXADMSRORRV-SMDDNHRTSA-N 1 1 364.405 2.631 50 30 FFEAMO Cc1cc(N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)nc(C(C)C)n1 ZINC000027545956 507664107 /nfs/dbraw/zinc/66/41/07/507664107.db2.gz BHSVALFZCWEKGH-UHFFFAOYSA-N 1 1 365.481 2.981 50 30 FFEAMO C=CC[NH2+]CC[C@@H]1CCC(=O)N1CC1(N2CCOCC2)CCCCCC1 ZINC000299780004 511679229 /nfs/dbraw/zinc/67/92/29/511679229.db2.gz HHMYHUPXPLJDJD-IBGZPJMESA-N 1 1 363.546 2.568 50 30 FFEAMO N#C[C@@H]1C(=O)Nn2c(N)[nH+]c(-c3ccccc3)c2[C@@H]1c1ccc(Cl)cc1 ZINC000618257298 520968283 /nfs/dbraw/zinc/96/82/83/520968283.db2.gz UNDPHQIIQMHCMN-LSDHHAIUSA-N 1 1 363.808 2.971 50 30 FFEAMO COC[C@@H]1C[N@H+](C2CCC2)CC12CCN(C(=O)c1cccc(C#N)c1)CC2 ZINC000169782571 984967772 /nfs/dbraw/zinc/96/77/72/984967772.db2.gz HKUSOBDKBKHAME-IBGZPJMESA-N 1 1 367.493 2.911 50 30 FFEAMO COc1cc(C)c(C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000009375937 207269882 /nfs/dbraw/zinc/26/98/82/207269882.db2.gz WRWPSDZKDVPDKB-SFHVURJKSA-N 1 1 370.449 2.756 50 30 FFEAMO COc1cc2c(cc1OC)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000030673330 208004424 /nfs/dbraw/zinc/00/44/24/208004424.db2.gz NPSVZCXCVZJZOH-UHFFFAOYSA-N 1 1 365.433 2.962 50 30 FFEAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086740 208358921 /nfs/dbraw/zinc/35/89/21/208358921.db2.gz OYPKDNSEVWOEOP-IEBWSBKVSA-N 1 1 354.498 2.765 50 30 FFEAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086740 208358928 /nfs/dbraw/zinc/35/89/28/208358928.db2.gz OYPKDNSEVWOEOP-IEBWSBKVSA-N 1 1 354.498 2.765 50 30 FFEAMO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019367350 263374876 /nfs/dbraw/zinc/37/48/76/263374876.db2.gz KUOVTMLCFKFKAI-QFIPXVFZSA-N 1 1 366.505 2.973 50 30 FFEAMO C=CCC1(CC=C)CCCN1C(=O)C[C@H]1C(=O)NCC[N@H+]1CCC(C)C ZINC000039371693 506448830 /nfs/dbraw/zinc/44/88/30/506448830.db2.gz QCZKXEGTJHQGQC-SFHVURJKSA-N 1 1 361.530 2.736 50 30 FFEAMO C=CCC1(CC=C)CCCN1C(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC(C)C ZINC000039371693 506448835 /nfs/dbraw/zinc/44/88/35/506448835.db2.gz QCZKXEGTJHQGQC-SFHVURJKSA-N 1 1 361.530 2.736 50 30 FFEAMO N#Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000012939677 506918471 /nfs/dbraw/zinc/91/84/71/506918471.db2.gz IAHCQRXYEJELLK-UHFFFAOYSA-N 1 1 368.481 2.611 50 30 FFEAMO COc1c2c(cc3c1[C@H](C/C(=N/O)c1ccccn1)[N@@H+](C)CC3)OCO2 ZINC000020111752 507212560 /nfs/dbraw/zinc/21/25/60/507212560.db2.gz YBIIDIGFVMXLJU-JTMDUIFQSA-N 1 1 355.394 2.617 50 30 biogenic FFEAMO C=CCOc1ccc(C[N@H+](C)CC(=O)NC(=O)NCc2cccs2)cc1 ZINC000008533085 519031622 /nfs/dbraw/zinc/03/16/22/519031622.db2.gz YXNCIGLHXFATTM-UHFFFAOYSA-N 1 1 373.478 2.771 50 30 FFEAMO C=CCOc1ccc(C[N@@H+](C)CC(=O)NC(=O)NCc2cccs2)cc1 ZINC000008533085 519031626 /nfs/dbraw/zinc/03/16/26/519031626.db2.gz YXNCIGLHXFATTM-UHFFFAOYSA-N 1 1 373.478 2.771 50 30 FFEAMO COc1cc(C)c(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000009375938 207270126 /nfs/dbraw/zinc/27/01/26/207270126.db2.gz WRWPSDZKDVPDKB-GOSISDBHSA-N 1 1 370.449 2.756 50 30 FFEAMO COc1ccc(C(=[NH2+])NOC(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000005013033 263337492 /nfs/dbraw/zinc/33/74/92/263337492.db2.gz YYOKQBFKUOANDD-UHFFFAOYSA-N 1 1 364.785 2.843 50 30 FFEAMO C#CC1(OC[C@H](O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)CCCCC1 ZINC000012419869 506862040 /nfs/dbraw/zinc/86/20/40/506862040.db2.gz GLYLDZJJRNDIKA-LJQANCHMSA-N 1 1 373.493 2.776 50 30 biogenic FFEAMO C=CCNC(=O)N(CCOC)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012717093 506891387 /nfs/dbraw/zinc/89/13/87/506891387.db2.gz TUPGBKVTHBMWHS-SFHVURJKSA-N 1 1 371.525 2.710 50 30 FFEAMO N#Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012924733 506916695 /nfs/dbraw/zinc/91/66/95/506916695.db2.gz ASQZMSCYMCRBKC-QGZVFWFLSA-N 1 1 362.433 2.847 50 30 FFEAMO N#Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012924733 506916704 /nfs/dbraw/zinc/91/67/04/506916704.db2.gz ASQZMSCYMCRBKC-QGZVFWFLSA-N 1 1 362.433 2.847 50 30 FFEAMO C#CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000058420892 507416261 /nfs/dbraw/zinc/41/62/61/507416261.db2.gz PFSLGUCLDZOBSE-QFBILLFUSA-N 1 1 359.901 2.770 50 30 FFEAMO C#CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000058420892 507416272 /nfs/dbraw/zinc/41/62/72/507416272.db2.gz PFSLGUCLDZOBSE-QFBILLFUSA-N 1 1 359.901 2.770 50 30 FFEAMO COc1cc(C=NN2CC[NH+](Cc3ccc(C)cc3)CC2)cc(OC)c1O ZINC000254387885 509905720 /nfs/dbraw/zinc/90/57/20/509905720.db2.gz YKOHJTAMXQFELQ-UHFFFAOYSA-N 1 1 369.465 2.870 50 30 FFEAMO N#Cc1nc(-c2ccccc2)oc1N1CC[NH+](CCc2ccccn2)CC1 ZINC000011914608 207329687 /nfs/dbraw/zinc/32/96/87/207329687.db2.gz NSZJDEUFGKDIIP-UHFFFAOYSA-N 1 1 359.433 2.973 50 30 FFEAMO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000040105850 506468555 /nfs/dbraw/zinc/46/85/55/506468555.db2.gz LCYGPKRATSMXHZ-QGZVFWFLSA-N 1 1 354.494 2.918 50 30 FFEAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1 ZINC000013098047 506929020 /nfs/dbraw/zinc/92/90/20/506929020.db2.gz DPJVSSOIHKNUCO-AZUAARDMSA-N 1 1 367.474 2.863 50 30 FFEAMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000024574346 507421153 /nfs/dbraw/zinc/42/11/53/507421153.db2.gz QVXUETDSFSWJHE-UHFFFAOYSA-N 1 1 355.394 2.891 50 30 FFEAMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000024574346 507421161 /nfs/dbraw/zinc/42/11/61/507421161.db2.gz QVXUETDSFSWJHE-UHFFFAOYSA-N 1 1 355.394 2.891 50 30 FFEAMO C=CCN1CC[C@]2(CN(Cc3ccc(F)cc3C)CC[N@@H+]2C)CCC1=O ZINC000091651570 507999561 /nfs/dbraw/zinc/99/95/61/507999561.db2.gz WYNXWSSIADOVFV-NRFANRHFSA-N 1 1 359.489 2.819 50 30 FFEAMO COCCCN1C[C@@]2(CCC[N@@H+](Cc3ccccc3C#N)C2)CCC1=O ZINC000077357415 508304951 /nfs/dbraw/zinc/30/49/51/508304951.db2.gz QVTARDKSAXXKCR-NRFANRHFSA-N 1 1 355.482 2.799 50 30 FFEAMO Cc1cnc([C@H](C)CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)s1 ZINC000330220818 510940614 /nfs/dbraw/zinc/94/06/14/510940614.db2.gz LCKQDDGLZQBNPF-ZIAGYGMSSA-N 1 1 366.531 2.654 50 30 FFEAMO C=C(C)COc1cccc(NC(=O)N2CC[N@@H+](CC3CC3)[C@@H](CCO)C2)c1 ZINC000299760894 518621224 /nfs/dbraw/zinc/62/12/24/518621224.db2.gz RSGPPCAOGLXZJU-IBGZPJMESA-N 1 1 373.497 2.952 50 30 FFEAMO Cc1c(C[N@@H+]2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)cc(C#N)n1C ZINC001529173514 1062202398 /nfs/dbraw/zinc/20/23/98/1062202398.db2.gz XJFWZOXTKSYEBP-XMSQKQJNSA-N 1 1 360.461 2.789 50 30 FFEAMO CC(C)(O)C#Cc1ccc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)cc1 ZINC000019607701 210156195 /nfs/dbraw/zinc/15/61/95/210156195.db2.gz PENUBTJXVUCTJO-QFIPXVFZSA-N 1 1 370.537 2.620 50 30 FFEAMO C=CCNc1nc(COCC)nc2c1CC[N@@H+](Cc1ccncc1)CC2 ZINC000072474455 210066356 /nfs/dbraw/zinc/06/63/56/210066356.db2.gz GJHQHWOKIUZQAH-UHFFFAOYSA-N 1 1 353.470 2.607 50 30 FFEAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CNc2ccc(C#N)cc2)cc1F ZINC000058417170 212009330 /nfs/dbraw/zinc/00/93/30/212009330.db2.gz MXFKWRFEZPJJOK-UHFFFAOYSA-N 1 1 363.396 2.920 50 30 FFEAMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000023752684 211395135 /nfs/dbraw/zinc/39/51/35/211395135.db2.gz IVWAAKDSDCVULI-UHFFFAOYSA-N 1 1 364.405 2.815 50 30 FFEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000023752684 211395137 /nfs/dbraw/zinc/39/51/37/211395137.db2.gz IVWAAKDSDCVULI-UHFFFAOYSA-N 1 1 364.405 2.815 50 30 FFEAMO COc1ccc(C(=O)C2C(=O)C(=O)N(CCC[NH3+])[C@H]2c2ccccc2)cc1 ZINC000019933714 211261737 /nfs/dbraw/zinc/26/17/37/211261737.db2.gz ZGAUCPXVQHRMIG-SFHVURJKSA-N 1 1 366.417 2.622 50 30 FFEAMO N#Cc1ccccc1CN1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071738546 221357057 /nfs/dbraw/zinc/35/70/57/221357057.db2.gz QZTGEGAWRNRQBW-IBGZPJMESA-N 1 1 366.509 2.513 50 30 FFEAMO C[N@@H+]1[C@@H]2CCC[C@H]1Cc1nc(N)c(C#N)c(-c3ccccc3OCCO)c12 ZINC000071750597 221362043 /nfs/dbraw/zinc/36/20/43/221362043.db2.gz QNZGMVRLMXFYPD-SUMWQHHRSA-N 1 1 364.449 2.655 50 30 FFEAMO N#Cc1cc2c(nc1N1CC[N@@H+](C3CCCC3)[C@H](CCO)C1)CCCC2 ZINC000072481213 136149744 /nfs/dbraw/zinc/14/97/44/136149744.db2.gz NFGOUZJULGFVJU-LJQANCHMSA-N 1 1 354.498 2.648 50 30 FFEAMO COC[C@@H]1CCC[N@H+]1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12 ZINC000106588739 222386705 /nfs/dbraw/zinc/38/67/05/222386705.db2.gz REILRXPTAKYZGI-YLWQIKDNSA-N 1 1 363.498 2.624 50 30 biogenic FFEAMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000012808103 506904563 /nfs/dbraw/zinc/90/45/63/506904563.db2.gz OTBPOSDEPPIZPW-GASCZTMLSA-N 1 1 360.502 2.930 50 30 FFEAMO COc1ccc2[nH]nc(-c3c(C#N)c(N)nc4c3[C@H]3CC[C@@H](C4)[N@H+]3C)c2c1 ZINC000071753341 507712460 /nfs/dbraw/zinc/71/24/60/507712460.db2.gz GAVSDSKSNCCWMR-MGPLVRAMSA-N 1 1 360.421 2.779 50 30 FFEAMO C=CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(-c3n[nH]c(CC)n3)c2)C1 ZINC000299781500 511679551 /nfs/dbraw/zinc/67/95/51/511679551.db2.gz ULXYRXZBOBXAKJ-AWEZNQCLSA-N 1 1 354.458 2.664 50 30 FFEAMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000584897067 518527883 /nfs/dbraw/zinc/52/78/83/518527883.db2.gz VGQVUKJOMSNQPD-KRWDZBQOSA-N 1 1 369.513 2.510 50 30 FFEAMO C[C@@H]1C[N@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@@H]5[C@@H]32)C[C@H](C)O1 ZINC000252693035 524967195 /nfs/dbraw/zinc/96/71/95/524967195.db2.gz ADDHZWLTSYXUMP-NNZVRKLNSA-N 1 1 363.498 2.621 50 30 biogenic FFEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)s1 ZINC000820608288 998465846 /nfs/dbraw/zinc/46/58/46/998465846.db2.gz IUOPPAWAJDYOLV-QGZVFWFLSA-N 1 1 362.539 2.557 50 30 FFEAMO C[C@@H]1C[C@](O)(C#CCOc2ccc(Br)cc2)[C@@H](C)C[N@H+]1C ZINC000013540653 220071874 /nfs/dbraw/zinc/07/18/74/220071874.db2.gz BZEJSCRBMDUORW-JJRVBVJISA-N 1 1 352.272 2.923 50 30 FFEAMO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)s1 ZINC000065399161 221211959 /nfs/dbraw/zinc/21/19/59/221211959.db2.gz XWTUGATXVGOLSF-UHFFFAOYSA-N 1 1 360.523 2.705 50 30 FFEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)s1 ZINC000065399161 221211960 /nfs/dbraw/zinc/21/19/60/221211960.db2.gz XWTUGATXVGOLSF-UHFFFAOYSA-N 1 1 360.523 2.705 50 30 FFEAMO CCc1nn(C)c(Cl)c1-c1c(C#N)c(N)nc2c1[C@H]1CC[C@@H](C2)[N@@H+]1C ZINC000071764810 221370446 /nfs/dbraw/zinc/37/04/46/221370446.db2.gz XVCTWROPDCIKAI-TVQRCGJNSA-N 1 1 356.861 2.843 50 30 FFEAMO CCc1nn(C)c(Cl)c1-c1c(C#N)c(N)nc2c1[C@H]1CC[C@@H](C2)[N@H+]1C ZINC000071764810 221370448 /nfs/dbraw/zinc/37/04/48/221370448.db2.gz XVCTWROPDCIKAI-TVQRCGJNSA-N 1 1 356.861 2.843 50 30 FFEAMO CC(C)=CC[N@H+]1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@@H]1CCO ZINC000019744208 263375570 /nfs/dbraw/zinc/37/55/70/263375570.db2.gz USUCEBPIGBWLCO-QFIPXVFZSA-N 1 1 370.537 2.644 50 30 FFEAMO CC(C)=CCN1CC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)C[C@@H]1CCO ZINC000019744208 263375574 /nfs/dbraw/zinc/37/55/74/263375574.db2.gz USUCEBPIGBWLCO-QFIPXVFZSA-N 1 1 370.537 2.644 50 30 FFEAMO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000072423271 507787888 /nfs/dbraw/zinc/78/78/88/507787888.db2.gz UJQOKGKUMRKTEG-IBGZPJMESA-N 1 1 364.497 2.662 50 30 FFEAMO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000095983168 508200598 /nfs/dbraw/zinc/20/05/98/508200598.db2.gz LCTRQTMSGCDNCQ-SFHVURJKSA-N 1 1 371.481 2.938 50 30 FFEAMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000095983168 508200601 /nfs/dbraw/zinc/20/06/01/508200601.db2.gz LCTRQTMSGCDNCQ-SFHVURJKSA-N 1 1 371.481 2.938 50 30 FFEAMO C#CC[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000229488958 509425556 /nfs/dbraw/zinc/42/55/56/509425556.db2.gz PCYVENZFBHTEBA-QZTJIDSGSA-N 1 1 364.848 2.867 50 30 FFEAMO C#CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000229488958 509425559 /nfs/dbraw/zinc/42/55/59/509425559.db2.gz PCYVENZFBHTEBA-QZTJIDSGSA-N 1 1 364.848 2.867 50 30 FFEAMO C=CCOC[C@H](O)C[N@@H+](CC=C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000169681804 509659225 /nfs/dbraw/zinc/65/92/25/509659225.db2.gz VQDNPYBDEOEKFN-MSOLQXFVSA-N 1 1 364.873 2.885 50 30 FFEAMO CSCC[NH+]1CCN(C(=O)c2ccc(-c3ncccc3C#N)cc2)CC1 ZINC000426606683 513993311 /nfs/dbraw/zinc/99/33/11/513993311.db2.gz CKTGQEYIDWEHLN-UHFFFAOYSA-N 1 1 366.490 2.741 50 30 FFEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000036095781 518305495 /nfs/dbraw/zinc/30/54/95/518305495.db2.gz IECQWYQTXPOHCF-FQEVSTJZSA-N 1 1 369.461 2.717 50 30 FFEAMO C[N@@H+](CC#CCNC(=O)COc1ccc(Cl)cc1)Cc1ccccc1 ZINC000075165127 522417273 /nfs/dbraw/zinc/41/72/73/522417273.db2.gz YRWNOHNKZLJBOF-UHFFFAOYSA-N 1 1 356.853 2.970 50 30 FFEAMO N#Cc1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000078954221 526720619 /nfs/dbraw/zinc/72/06/19/526720619.db2.gz SRCAXDZYERMXLK-UYAOXDASSA-N 1 1 364.449 2.563 50 30 FFEAMO COc1nccc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)c1C#N ZINC000095499410 537145415 /nfs/dbraw/zinc/14/54/15/537145415.db2.gz SFAKBMBRBSSUPM-QGZVFWFLSA-N 1 1 374.448 2.986 50 30 FFEAMO C=CC[N@@H+]1CC[C@@H](CNC(=O)N(C)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000670447971 571351875 /nfs/dbraw/zinc/35/18/75/571351875.db2.gz VCCVFGJFEMVAGT-INIZCTEOSA-N 1 1 355.486 2.563 50 30 FFEAMO C=CC[N@H+]1CC[C@@H](CNC(=O)N(C)CCc2nc3cccc(C)c3[nH]2)C1 ZINC000670447971 571351876 /nfs/dbraw/zinc/35/18/76/571351876.db2.gz VCCVFGJFEMVAGT-INIZCTEOSA-N 1 1 355.486 2.563 50 30 FFEAMO C=CC[N@@H+]1CC[C@@H](CNC(=O)N(C)CCc2nc3cccc(C)c3[nH]2)C1 ZINC000670447971 571351877 /nfs/dbraw/zinc/35/18/77/571351877.db2.gz VCCVFGJFEMVAGT-INIZCTEOSA-N 1 1 355.486 2.563 50 30 FFEAMO Cc1ccc(NC(=O)N2CCCC[C@H]2CCN2CC[NH+](C)CC2)cc1C#N ZINC000299776817 210022079 /nfs/dbraw/zinc/02/20/79/210022079.db2.gz DFPYKSFNRTVWKF-FQEVSTJZSA-N 1 1 369.513 2.891 50 30 FFEAMO CCN1CC[C@]2(CN(c3nc(C(C)C)ccc3C#N)CC[N@H+]2C)CCC1=O ZINC000091650456 132202608 /nfs/dbraw/zinc/20/26/08/132202608.db2.gz GVNSTPPAAHDSIC-NRFANRHFSA-N 1 1 369.513 2.600 50 30 FFEAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NC1CCN(c2ncccc2C#N)CC1 ZINC000095526679 132214734 /nfs/dbraw/zinc/21/47/34/132214734.db2.gz FMMUMFKNUFCCGB-HNNXBMFYSA-N 1 1 366.469 2.619 50 30 FFEAMO COc1cc2c(cc1OC)C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC2 ZINC000012748222 506895348 /nfs/dbraw/zinc/89/53/48/506895348.db2.gz VTTSAGIBNNYKMH-UHFFFAOYSA-N 1 1 365.433 2.962 50 30 FFEAMO Cc1cccnc1N1CC[NH+](Cc2ccc(C#CC(C)(C)O)s2)CC1 ZINC000067714699 506987896 /nfs/dbraw/zinc/98/78/96/506987896.db2.gz BXZIWPGOAATBJE-UHFFFAOYSA-N 1 1 355.507 2.896 50 30 FFEAMO COCCCN1C[C@]2(CCC[N@@H+](Cc3ccccc3C#N)C2)CCC1=O ZINC000077357417 508305072 /nfs/dbraw/zinc/30/50/72/508305072.db2.gz QVTARDKSAXXKCR-OAQYLSRUSA-N 1 1 355.482 2.799 50 30 FFEAMO CCC[N@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000426719847 514023567 /nfs/dbraw/zinc/02/35/67/514023567.db2.gz KJKVPCJCHKELQQ-GOSISDBHSA-N 1 1 369.513 2.512 50 30 FFEAMO Cc1noc([C@@H]2CC3(C[N@H+]2C)CCN(C(=O)c2cccc(C#N)c2)CC3)n1 ZINC000581803190 999947360 /nfs/dbraw/zinc/94/73/60/999947360.db2.gz WEDOUYWBTDTJIV-KRWDZBQOSA-N 1 1 365.437 2.549 50 30 FFEAMO Cc1noc([C@@H]2CC3(C[N@@H+]2C)CCN(C(=O)c2cccc(C#N)c2)CC3)n1 ZINC000581803190 999947362 /nfs/dbraw/zinc/94/73/62/999947362.db2.gz WEDOUYWBTDTJIV-KRWDZBQOSA-N 1 1 365.437 2.549 50 30 FFEAMO CC(C)(O)C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000952976063 1011021047 /nfs/dbraw/zinc/02/10/47/1011021047.db2.gz PZDHBZVSLVFGKW-SFHVURJKSA-N 1 1 366.461 2.796 50 30 FFEAMO C=CCSCC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000051419946 210062117 /nfs/dbraw/zinc/06/21/17/210062117.db2.gz SJFFITPDCDKYKZ-UHFFFAOYSA-N 1 1 359.495 2.831 50 30 FFEAMO Cc1c(C[N@H+](C)Cc2cccc(C(=O)Nc3ccc(C#N)nc3)c2)cnn1C ZINC000067587372 221259688 /nfs/dbraw/zinc/25/96/88/221259688.db2.gz DGJNMBOASSPRTO-UHFFFAOYSA-N 1 1 374.448 2.880 50 30 FFEAMO Cc1c(C[N@@H+](C)Cc2cccc(C(=O)Nc3ccc(C#N)nc3)c2)cnn1C ZINC000067587372 221259691 /nfs/dbraw/zinc/25/96/91/221259691.db2.gz DGJNMBOASSPRTO-UHFFFAOYSA-N 1 1 374.448 2.880 50 30 FFEAMO CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](COC)Cc1ccccc1 ZINC000076093776 508158137 /nfs/dbraw/zinc/15/81/37/508158137.db2.gz JWMSSXWFSFPMTJ-LEWJYISDSA-N 1 1 368.477 2.878 50 30 FFEAMO CC(C)(O)C#Cc1ccc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)cc1 ZINC000036385592 519330527 /nfs/dbraw/zinc/33/05/27/519330527.db2.gz PENUBTJXVUCTJO-JOCHJYFZSA-N 1 1 370.537 2.620 50 30 FFEAMO COc1cc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000019790542 521988662 /nfs/dbraw/zinc/98/86/62/521988662.db2.gz QOCUDWITGDNBBA-PXLXIMEGSA-N 1 1 369.465 2.864 50 30 FFEAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(c2ncccc2C#N)CC1 ZINC000095497704 535598948 /nfs/dbraw/zinc/59/89/48/535598948.db2.gz UMERTMGQIPWFSB-IBGZPJMESA-N 1 1 369.513 2.550 50 30 FFEAMO C=CCOc1ccc(Cl)cc1C[N@@H+]1C[C@@H](Cc2cc(C)n[nH]2)[C@H](O)C1 ZINC001529145057 1062186843 /nfs/dbraw/zinc/18/68/43/1062186843.db2.gz AJROBHYNGFSGIJ-RDTXWAMCSA-N 1 1 361.873 2.972 50 30 FFEAMO C=CCOc1ccc(Cl)cc1C[N@H+]1C[C@@H](Cc2cc(C)[nH]n2)[C@H](O)C1 ZINC001529145057 1062186854 /nfs/dbraw/zinc/18/68/54/1062186854.db2.gz AJROBHYNGFSGIJ-RDTXWAMCSA-N 1 1 361.873 2.972 50 30 FFEAMO C=CCOc1ccc(Cl)cc1C[N@@H+]1C[C@@H](Cc2cc(C)[nH]n2)[C@H](O)C1 ZINC001529145057 1062186861 /nfs/dbraw/zinc/18/68/61/1062186861.db2.gz AJROBHYNGFSGIJ-RDTXWAMCSA-N 1 1 361.873 2.972 50 30 FFEAMO C=CC[N@H+]1[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N[C@@H]2CCCC[C@@H]21 ZINC000226503414 210177533 /nfs/dbraw/zinc/17/75/33/210177533.db2.gz TVERLAUBMYZBFH-IXDOHACOSA-N 1 1 361.873 2.966 50 30 FFEAMO C=CC[N@@H+]1[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N[C@@H]2CCCC[C@@H]21 ZINC000226503414 210177537 /nfs/dbraw/zinc/17/75/37/210177537.db2.gz TVERLAUBMYZBFH-IXDOHACOSA-N 1 1 361.873 2.966 50 30 FFEAMO C=CCN1CC[C@]2(CN(Cc3ccc(OCC)cc3)CC[N@H+]2C)CCC1=O ZINC000091594326 210073200 /nfs/dbraw/zinc/07/32/00/210073200.db2.gz GRYCQYGXWPJWFO-QFIPXVFZSA-N 1 1 371.525 2.770 50 30 FFEAMO Cc1ccc(NC(=O)C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000012939496 220045156 /nfs/dbraw/zinc/04/51/56/220045156.db2.gz LSKBMYHJLKKIGG-UHFFFAOYSA-N 1 1 350.422 2.766 50 30 FFEAMO Cc1ccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000012939496 220045159 /nfs/dbraw/zinc/04/51/59/220045159.db2.gz LSKBMYHJLKKIGG-UHFFFAOYSA-N 1 1 350.422 2.766 50 30 FFEAMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc2c(c1)OCCO2 ZINC000021472420 211314776 /nfs/dbraw/zinc/31/47/76/211314776.db2.gz GSWQIVCYYKQQIM-UHFFFAOYSA-N 1 1 357.435 2.852 50 30 FFEAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000017306032 211183221 /nfs/dbraw/zinc/18/32/21/211183221.db2.gz PPDCBMPBTMLAGA-CYBMUJFWSA-N 1 1 366.450 2.832 50 30 FFEAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000017306032 211183225 /nfs/dbraw/zinc/18/32/25/211183225.db2.gz PPDCBMPBTMLAGA-CYBMUJFWSA-N 1 1 366.450 2.832 50 30 FFEAMO C[NH+](C)[C@H](C(=O)N1CCN(c2ccccc2C#N)CC1)c1ccc(F)cc1 ZINC000095354455 132207131 /nfs/dbraw/zinc/20/71/31/132207131.db2.gz CMZQMAPIQGCPLT-FQEVSTJZSA-N 1 1 366.440 2.649 50 30 FFEAMO Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)C[N@H+]2CCCC[C@@H]2C)c1C#N ZINC000008338713 506645199 /nfs/dbraw/zinc/64/51/99/506645199.db2.gz DNIXNUVBBVJQOI-YOEHRIQHSA-N 1 1 358.486 2.969 50 30 FFEAMO Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2C)c1C#N ZINC000008338713 506645204 /nfs/dbraw/zinc/64/52/04/506645204.db2.gz DNIXNUVBBVJQOI-YOEHRIQHSA-N 1 1 358.486 2.969 50 30 FFEAMO COc1cc(C)c(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1OC ZINC000023718682 507367397 /nfs/dbraw/zinc/36/73/97/507367397.db2.gz LLOZOXGWSCNXOI-UHFFFAOYSA-N 1 1 352.438 2.601 50 30 FFEAMO N#Cc1cn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc12 ZINC000051319132 507761404 /nfs/dbraw/zinc/76/14/04/507761404.db2.gz MOOUOOXMTWKIAV-UHFFFAOYSA-N 1 1 358.445 2.857 50 30 FFEAMO C=CCN1CC[C@]2(C[N@H+](CCSc3ccccc3)CCN2C)CCC1=O ZINC000091769565 518869674 /nfs/dbraw/zinc/86/96/74/518869674.db2.gz KAALUDFUFCWHKB-NRFANRHFSA-N 1 1 373.566 2.963 50 30 FFEAMO C=CCN1CC[C@]2(CN(CCSc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091769565 518869678 /nfs/dbraw/zinc/86/96/78/518869678.db2.gz KAALUDFUFCWHKB-NRFANRHFSA-N 1 1 373.566 2.963 50 30 FFEAMO C=CCN1CC[C@]2(CN(CCSc3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000091769565 518869683 /nfs/dbraw/zinc/86/96/83/518869683.db2.gz KAALUDFUFCWHKB-NRFANRHFSA-N 1 1 373.566 2.963 50 30 FFEAMO Cc1c[nH+]c(C[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1C(C)C ZINC000581806672 999947983 /nfs/dbraw/zinc/94/79/83/999947983.db2.gz UESGLWKJLWRWPC-QGZVFWFLSA-N 1 1 372.494 2.897 50 30 FFEAMO C=C(C)CN(CC)C(=O)C1(N2CC[NH+](CC)CC2)Cc2ccccc2C1 ZINC000023374716 210159690 /nfs/dbraw/zinc/15/96/90/210159690.db2.gz DKCGJZVOPRNKAY-UHFFFAOYSA-N 1 1 355.526 2.586 50 30 FFEAMO C=C(C)CN(CC)C(=O)C1([NH+]2CCN(CC)CC2)Cc2ccccc2C1 ZINC000023374716 210159696 /nfs/dbraw/zinc/15/96/96/210159696.db2.gz DKCGJZVOPRNKAY-UHFFFAOYSA-N 1 1 355.526 2.586 50 30 FFEAMO C=CCN1CC[C@@]2(CN(C(=O)Nc3ccc(F)cc3)CC[N@@H+]2C)CCC1=O ZINC000091320522 210073061 /nfs/dbraw/zinc/07/30/61/210073061.db2.gz DGMGNGNFYQOKTM-HXUWFJFHSA-N 1 1 374.460 2.542 50 30 FFEAMO N#Cc1cc2n(n1)CCC[N@H+](CCC(=O)Nc1nc3ccccc3s1)C2 ZINC000065383107 221207642 /nfs/dbraw/zinc/20/76/42/221207642.db2.gz GDXGQXSJQAROLL-UHFFFAOYSA-N 1 1 366.450 2.599 50 30 FFEAMO C[N@@H+](Cc1ccc(C(=O)Nc2ncc(C#N)s2)cc1)C1CCOCC1 ZINC000065451985 221220509 /nfs/dbraw/zinc/22/05/09/221220509.db2.gz JVHCCUKAQVMFMH-UHFFFAOYSA-N 1 1 356.451 2.878 50 30 FFEAMO C[N@@H+]1[C@@H]2CCC[C@H]1Cc1nc(N)c(C#N)c(-c3cccc(OCCO)c3)c12 ZINC000071752677 221364038 /nfs/dbraw/zinc/36/40/38/221364038.db2.gz JSNJXZMCHXAXME-KBXCAEBGSA-N 1 1 364.449 2.655 50 30 FFEAMO Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(O)c(C[NH+](C)C)c1 ZINC000071714624 221355102 /nfs/dbraw/zinc/35/51/02/221355102.db2.gz BIBRKPNVPFCEDD-UHFFFAOYSA-N 1 1 362.437 2.679 50 30 FFEAMO CC[C@H](CNC(=O)COc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000032445992 506254751 /nfs/dbraw/zinc/25/47/51/506254751.db2.gz LGPZQZOVNMMUDY-HXUWFJFHSA-N 1 1 363.461 2.890 50 30 FFEAMO C#CCC[NH+]1CCN(C(=O)c2cccc(OCc3c(C)noc3C)c2)CC1 ZINC000048331991 507503233 /nfs/dbraw/zinc/50/32/33/507503233.db2.gz SEEXXGOHVQZKMG-UHFFFAOYSA-N 1 1 367.449 2.652 50 30 FFEAMO C[C@H](CNC(=O)c1ccnc(N2CCC[C@H](C)C2)c1)C[NH+]1CCOCC1 ZINC000329681631 512086501 /nfs/dbraw/zinc/08/65/01/512086501.db2.gz XANHKBVAYWIQHH-DLBZAZTESA-N 1 1 360.502 2.591 50 30 FFEAMO Cc1c[nH+]c(C[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1C(C)C ZINC000581806670 999947823 /nfs/dbraw/zinc/94/78/23/999947823.db2.gz UESGLWKJLWRWPC-KRWDZBQOSA-N 1 1 372.494 2.897 50 30 FFEAMO C#CC1(OC[C@@H](O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)CCCCC1 ZINC000012419871 263370611 /nfs/dbraw/zinc/37/06/11/263370611.db2.gz GLYLDZJJRNDIKA-IBGZPJMESA-N 1 1 373.493 2.776 50 30 biogenic FFEAMO CCOC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1/[NH+]=C/N(C)C ZINC000004058885 506356704 /nfs/dbraw/zinc/35/67/04/506356704.db2.gz NRZVHODMPCWHNY-AWQFTUOYSA-N 1 1 355.320 2.684 50 30 FFEAMO C#CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000058420893 507416005 /nfs/dbraw/zinc/41/60/05/507416005.db2.gz PFSLGUCLDZOBSE-LPHOPBHVSA-N 1 1 359.901 2.770 50 30 FFEAMO C#CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000058420893 507416011 /nfs/dbraw/zinc/41/60/11/507416011.db2.gz PFSLGUCLDZOBSE-LPHOPBHVSA-N 1 1 359.901 2.770 50 30 FFEAMO CN1C[C@@]2(CCC[N@@H+](CCCC(=O)Nc3ccc(C#N)cc3)C2)CCC1=O ZINC000244748553 509869239 /nfs/dbraw/zinc/86/92/39/509869239.db2.gz OJNZZBOXPLLWTP-OAQYLSRUSA-N 1 1 368.481 2.611 50 30 FFEAMO COc1ccc(C)cc1N1C[C@H](C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1=O ZINC000329261265 512015906 /nfs/dbraw/zinc/01/59/06/512015906.db2.gz AVULQLCBFNAUGW-DOTOQJQBSA-N 1 1 371.481 2.963 50 30 FFEAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC000426477477 513952715 /nfs/dbraw/zinc/95/27/15/513952715.db2.gz YNRUCHFDQBNLPG-SFHVURJKSA-N 1 1 363.461 2.923 50 30 FFEAMO C#CCN(Cc1ccco1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(C)C)CC2)C1 ZINC000014957964 518262228 /nfs/dbraw/zinc/26/22/28/518262228.db2.gz OLXFFISAHXINJZ-IBGZPJMESA-N 1 1 371.525 2.826 50 30 FFEAMO C#CCN(Cc1ccco1)C(=O)[C@H]1CCC[N@H+](C2CCN(C(C)C)CC2)C1 ZINC000014957964 518262234 /nfs/dbraw/zinc/26/22/34/518262234.db2.gz OLXFFISAHXINJZ-IBGZPJMESA-N 1 1 371.525 2.826 50 30 FFEAMO C=C(C)COc1cccc(NC(=O)N2CC[N@@H+](CC3CC3)[C@H](CCO)C2)c1 ZINC000299760897 518620822 /nfs/dbraw/zinc/62/08/22/518620822.db2.gz RSGPPCAOGLXZJU-LJQANCHMSA-N 1 1 373.497 2.952 50 30 FFEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103573 518988617 /nfs/dbraw/zinc/98/86/17/518988617.db2.gz DCGOAUWTXWZBIN-IBGZPJMESA-N 1 1 355.434 2.981 50 30 FFEAMO COc1cccc(NC(=O)NCC#CC[N@@H+](C)Cc2ccccc2)c1OC ZINC000075165165 526191746 /nfs/dbraw/zinc/19/17/46/526191746.db2.gz BVVRLCIBHUVKNW-UHFFFAOYSA-N 1 1 367.449 2.961 50 30 FFEAMO N#Cc1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000078954226 526720950 /nfs/dbraw/zinc/72/09/50/526720950.db2.gz SRCAXDZYERMXLK-AZUAARDMSA-N 1 1 364.449 2.563 50 30 FFEAMO N#Cc1cccc([C@H](C#CC2CCCCC2)N2CC[NH+](CCO)CC2)c1 ZINC000096132830 526731639 /nfs/dbraw/zinc/73/16/39/526731639.db2.gz GJQCLLYQTNGSTK-QFIPXVFZSA-N 1 1 351.494 2.793 50 30 FFEAMO C[NH+](C)[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000091756777 536120217 /nfs/dbraw/zinc/12/02/17/536120217.db2.gz WLRXLVYNEKKZFQ-HXUWFJFHSA-N 1 1 366.440 2.649 50 30 FFEAMO COc1nccc(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)c1C#N ZINC000095499409 537146274 /nfs/dbraw/zinc/14/62/74/537146274.db2.gz SFAKBMBRBSSUPM-KRWDZBQOSA-N 1 1 374.448 2.986 50 30 FFEAMO C=CC[N@H+](C[C@H](O)COCC)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983658 570866251 /nfs/dbraw/zinc/86/62/51/570866251.db2.gz BGXQEDAMVPUSHZ-DLBZAZTESA-N 1 1 352.862 2.718 50 30 FFEAMO COCCn1c(C)c[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000581815750 999949047 /nfs/dbraw/zinc/94/90/47/999949047.db2.gz IECITLLBNBGNFU-SFHVURJKSA-N 1 1 366.465 2.805 50 30 FFEAMO C=CCN1CC[C@@]2(C[N@H+](CCSc3ccccc3)CCN2C)CCC1=O ZINC000107414012 210140744 /nfs/dbraw/zinc/14/07/44/210140744.db2.gz KAALUDFUFCWHKB-OAQYLSRUSA-N 1 1 373.566 2.963 50 30 FFEAMO C=CCN1CC[C@@]2(CN(CCSc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000107414012 210140747 /nfs/dbraw/zinc/14/07/47/210140747.db2.gz KAALUDFUFCWHKB-OAQYLSRUSA-N 1 1 373.566 2.963 50 30 FFEAMO C=CCN1CC[C@@]2(CN(CCSc3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000107414012 210140750 /nfs/dbraw/zinc/14/07/50/210140750.db2.gz KAALUDFUFCWHKB-OAQYLSRUSA-N 1 1 373.566 2.963 50 30 FFEAMO OCC#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)cc1 ZINC000091746853 210074279 /nfs/dbraw/zinc/07/42/79/210074279.db2.gz YQZGLKTXXATESM-XZOQPEGZSA-N 1 1 361.489 2.522 50 30 FFEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)CC(OC)OC)[C@H]3C[C@@H]12 ZINC000061695587 221134402 /nfs/dbraw/zinc/13/44/02/221134402.db2.gz YHZOBPBMQMCRTE-ISIBIEBGSA-N 1 1 351.487 2.851 50 30 biogenic FFEAMO COC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)Nc2ccc(C#N)cn2)cc1 ZINC000065429400 221219353 /nfs/dbraw/zinc/21/93/53/221219353.db2.gz ZZZQHPYYTVPOHI-GOSISDBHSA-N 1 1 350.422 2.816 50 30 FFEAMO N#Cc1cccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071764753 221371421 /nfs/dbraw/zinc/37/14/21/221371421.db2.gz FEJDWYURQHZYMN-LJQANCHMSA-N 1 1 366.509 2.513 50 30 FFEAMO Cc1ccc([C@@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000095367011 132208454 /nfs/dbraw/zinc/20/84/54/132208454.db2.gz NSZSMBGAYLRDMU-NRFANRHFSA-N 1 1 362.477 2.818 50 30 FFEAMO CCNC(=O)[C@@H]1C[C@H](Nc2ncccc2C#N)C[N@@H+]1Cc1ccc(C)s1 ZINC000096147818 222048615 /nfs/dbraw/zinc/04/86/15/222048615.db2.gz HCJYDYGHYKDEDC-RDJZCZTQSA-N 1 1 369.494 2.514 50 30 FFEAMO CCNC(=O)[C@@H]1C[C@H](Nc2ncccc2C#N)C[N@H+]1Cc1ccc(C)s1 ZINC000096147818 222048617 /nfs/dbraw/zinc/04/86/17/222048617.db2.gz HCJYDYGHYKDEDC-RDJZCZTQSA-N 1 1 369.494 2.514 50 30 FFEAMO COc1cc(OC)c(OC)cc1C=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000002928919 506301697 /nfs/dbraw/zinc/30/16/97/506301697.db2.gz ISEYRRUPUMHJJR-UHFFFAOYSA-N 1 1 369.465 2.864 50 30 FFEAMO COc1cc(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc(OC)c1OC ZINC000004690167 506388219 /nfs/dbraw/zinc/38/82/19/506388219.db2.gz JKLKJRCMAYAMKI-UHFFFAOYSA-N 1 1 364.785 2.843 50 30 FFEAMO C=CCC[C@@H](C[N@@H+](C)C1CCN(C)CC1)Oc1ccnc(OC)c1C#N ZINC000067974224 507072627 /nfs/dbraw/zinc/07/26/27/507072627.db2.gz KJZJRRICLVSRDP-KRWDZBQOSA-N 1 1 358.486 2.701 50 30 FFEAMO C#CC1(OC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000022917932 507320083 /nfs/dbraw/zinc/32/00/83/507320083.db2.gz BKDKTFBTJZEBBY-NRFANRHFSA-N 1 1 356.510 2.518 50 30 FFEAMO CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CCOC)CCN1C(=O)OC(C)(C)C ZINC000328593775 511889797 /nfs/dbraw/zinc/88/97/97/511889797.db2.gz HEWNMLWNUFACTH-LSDHHAIUSA-N 1 1 357.495 2.557 50 30 FFEAMO COc1cc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1O ZINC000019809385 521987111 /nfs/dbraw/zinc/98/71/11/521987111.db2.gz VXTCLMIBILHGHD-KGENOOAVSA-N 1 1 355.438 2.561 50 30 FFEAMO COc1cc(NC(=[NH2+])Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc(OC)c1 ZINC000020028233 522631113 /nfs/dbraw/zinc/63/11/13/522631113.db2.gz HHZPHNRAVFZBEF-UHFFFAOYSA-N 1 1 365.393 2.512 50 30 FFEAMO COc1nccc(NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)c1C#N ZINC000082135086 525030852 /nfs/dbraw/zinc/03/08/52/525030852.db2.gz PXYYZRVQUYSKPH-UHFFFAOYSA-N 1 1 366.469 2.919 50 30 FFEAMO C#CCn1c2cc(Cl)ccc2cc(C[N@@H+](C)CCn2cccn2)c1=O ZINC000012080007 845021958 /nfs/dbraw/zinc/02/19/58/845021958.db2.gz WECFLJFPSHWMPJ-UHFFFAOYSA-N 1 1 354.841 2.617 50 30 FFEAMO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1cccc(F)c1 ZINC000012911560 220041811 /nfs/dbraw/zinc/04/18/11/220041811.db2.gz MFUDLRKWEJDNQD-UHFFFAOYSA-N 1 1 354.385 2.596 50 30 FFEAMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1cccc(F)c1 ZINC000012911560 220041815 /nfs/dbraw/zinc/04/18/15/220041815.db2.gz MFUDLRKWEJDNQD-UHFFFAOYSA-N 1 1 354.385 2.596 50 30 FFEAMO C[C@@H]1C[N@H+](C[C@H]2C(=O)O[C@]34[C@@H]5O[C@]5(C)CC[C@H]3[C@H](C)CC[C@@H]24)C[C@H](C)O1 ZINC000020412369 220325054 /nfs/dbraw/zinc/32/50/54/220325054.db2.gz RUZUDZSTUUEQRC-HVWOOJGLSA-N 1 1 363.498 2.621 50 30 biogenic FFEAMO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)s1 ZINC000065372932 221205658 /nfs/dbraw/zinc/20/56/58/221205658.db2.gz LLLBAVFGWHNIEX-UHFFFAOYSA-N 1 1 372.490 2.812 50 30 FFEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)s1 ZINC000065372932 221205660 /nfs/dbraw/zinc/20/56/60/221205660.db2.gz LLLBAVFGWHNIEX-UHFFFAOYSA-N 1 1 372.490 2.812 50 30 FFEAMO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000040025410 506459879 /nfs/dbraw/zinc/45/98/79/506459879.db2.gz VNYPDXUYICXNLE-LJQANCHMSA-N 1 1 368.525 2.713 50 30 FFEAMO C[C@H](C(=O)N1CCC(C)CC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000040025410 506459887 /nfs/dbraw/zinc/45/98/87/506459887.db2.gz VNYPDXUYICXNLE-LJQANCHMSA-N 1 1 368.525 2.713 50 30 FFEAMO C[C@H](C(=O)N1CCC(C)CC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000040025410 506459893 /nfs/dbraw/zinc/45/98/93/506459893.db2.gz VNYPDXUYICXNLE-LJQANCHMSA-N 1 1 368.525 2.713 50 30 FFEAMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000008225964 506634127 /nfs/dbraw/zinc/63/41/27/506634127.db2.gz VKLBNWIYVWJFNU-CQSZACIVSA-N 1 1 351.406 2.788 50 30 FFEAMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000008225964 506634132 /nfs/dbraw/zinc/63/41/32/506634132.db2.gz VKLBNWIYVWJFNU-CQSZACIVSA-N 1 1 351.406 2.788 50 30 FFEAMO C[NH+]1CCN(N=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000254419312 509906151 /nfs/dbraw/zinc/90/61/51/509906151.db2.gz HCHJXZIJJVBFCL-UHFFFAOYSA-N 1 1 360.465 2.575 50 30 FFEAMO C[N@H+]1CC[C@H](NC(=O)N2CCOc3cc(O)ccc3C2)[C@@H]1c1ccccc1 ZINC000329400520 512039793 /nfs/dbraw/zinc/03/97/93/512039793.db2.gz XUSRGJISLLQPDO-ICSRJNTNSA-N 1 1 367.449 2.946 50 30 FFEAMO C#CCC[NH+]1CCN(C(=O)c2cccc(OCc3csc(C)n3)c2)CC1 ZINC000058245140 518250052 /nfs/dbraw/zinc/25/00/52/518250052.db2.gz YSDOGRTXTSTNMS-UHFFFAOYSA-N 1 1 369.490 2.812 50 30 FFEAMO C=CCn1c(C[NH+]2CCC(Cc3nncn3C)CC2)nc2ccccc21 ZINC000055108216 519180532 /nfs/dbraw/zinc/18/05/32/519180532.db2.gz FXEUAPNWSBLXNL-UHFFFAOYSA-N 1 1 350.470 2.806 50 30 FFEAMO CC(C)c1cccc(N2CC[NH+](Cc3cc(C#CCO)cs3)CC2)n1 ZINC000067947533 519841515 /nfs/dbraw/zinc/84/15/15/519841515.db2.gz PGMLNQAGLBRFQL-UHFFFAOYSA-N 1 1 355.507 2.933 50 30 FFEAMO COC[C@@H]1CCC[N@H+]1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 ZINC000252462275 522461875 /nfs/dbraw/zinc/46/18/75/522461875.db2.gz REILRXPTAKYZGI-QPZSCLIPSA-N 1 1 363.498 2.624 50 30 biogenic FFEAMO COc1ccc(C=NN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1OC ZINC000244716146 523884168 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CN(C)/C=N/c1nc2ncc(-c3ccc(Cl)cc3)c(/[NH+]=C/N(C)C)n2n1 ZINC000018095904 220223913 /nfs/dbraw/zinc/22/39/13/220223913.db2.gz BULDNYBYEPLDOD-CLVAPQHMSA-N 1 1 370.848 2.888 50 30 FFEAMO COc1ccc(NC(=O)CSc2nc3c(cc2C#N)C[N@@H+](C)CC3)cc1 ZINC000019852711 220301987 /nfs/dbraw/zinc/30/19/87/220301987.db2.gz KLJPHYWKWWUFMB-UHFFFAOYSA-N 1 1 368.462 2.681 50 30 aggregator FFEAMO N#Cc1cccnc1N1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000252497536 132292936 /nfs/dbraw/zinc/29/29/36/132292936.db2.gz QKBMFQQDSACRQL-FQEVSTJZSA-N 1 1 361.493 2.597 50 30 FFEAMO CC[N@H+]1CCC[C@@H]1CN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000009575822 506702775 /nfs/dbraw/zinc/70/27/75/506702775.db2.gz BLBMNRLNOMZQPN-OAHLLOKOSA-N 1 1 368.506 2.806 50 30 FFEAMO CC[N@@H+]1CCC[C@@H]1Cn1cc(O)c(-c2nc(-c3ccccc3)cs2)c1N ZINC000009575822 506702782 /nfs/dbraw/zinc/70/27/82/506702782.db2.gz BLBMNRLNOMZQPN-OAHLLOKOSA-N 1 1 368.506 2.806 50 30 FFEAMO CC[N@H+]1CCC[C@@H]1Cn1cc(O)c(-c2nc(-c3ccccc3)cs2)c1N ZINC000009575822 506702788 /nfs/dbraw/zinc/70/27/88/506702788.db2.gz BLBMNRLNOMZQPN-OAHLLOKOSA-N 1 1 368.506 2.806 50 30 FFEAMO C=CCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012209788 506835735 /nfs/dbraw/zinc/83/57/35/506835735.db2.gz HGKBVFDZSNGESY-MRXNPFEDSA-N 1 1 368.481 2.811 50 30 FFEAMO C=CCN1CC[C@]2(CN(Cc3cc(F)cc(F)c3)CC[N@@H+]2C)CCC1=O ZINC000091933046 508025717 /nfs/dbraw/zinc/02/57/17/508025717.db2.gz ZGRCVKNXKRTCEF-FQEVSTJZSA-N 1 1 363.452 2.650 50 30 FFEAMO COc1ccc(CNC(=O)NCC#CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000075165066 524058770 /nfs/dbraw/zinc/05/87/70/524058770.db2.gz IEYPFVQUPMSJHY-UHFFFAOYSA-N 1 1 363.461 2.556 50 30 FFEAMO COc1ccc(CNC(=O)NCC#CC[N@H+]2CCc3ccccc3C2)cc1 ZINC000075165066 524058773 /nfs/dbraw/zinc/05/87/73/524058773.db2.gz IEYPFVQUPMSJHY-UHFFFAOYSA-N 1 1 363.461 2.556 50 30 FFEAMO Cn1ccnc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000670462247 571356940 /nfs/dbraw/zinc/35/69/40/571356940.db2.gz BBXOKSNRECMDGO-OAHLLOKOSA-N 1 1 371.506 2.699 50 30 FFEAMO COC(=O)c1ccc(COc2ccccc2C=NN2CC[NH+](C)CC2)cc1 ZINC000254798201 1014569333 /nfs/dbraw/zinc/56/93/33/1014569333.db2.gz MVIHIDSJFKYLFC-UHFFFAOYSA-N 1 1 367.449 2.634 50 30 FFEAMO COCCCn1c(C)c[nH+]c1[C@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000581816036 999949123 /nfs/dbraw/zinc/94/91/23/999949123.db2.gz MHGBSRPPIZDPJS-SFHVURJKSA-N 1 1 352.438 2.729 50 30 FFEAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000012908345 220041185 /nfs/dbraw/zinc/04/11/85/220041185.db2.gz DCWYIDJDPXGAQI-OAHLLOKOSA-N 1 1 360.421 2.770 50 30 FFEAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000012908345 220041187 /nfs/dbraw/zinc/04/11/87/220041187.db2.gz DCWYIDJDPXGAQI-OAHLLOKOSA-N 1 1 360.421 2.770 50 30 FFEAMO N#Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012924738 220044481 /nfs/dbraw/zinc/04/44/81/220044481.db2.gz ASQZMSCYMCRBKC-KRWDZBQOSA-N 1 1 362.433 2.847 50 30 FFEAMO N#Cc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012924738 220044484 /nfs/dbraw/zinc/04/44/84/220044484.db2.gz ASQZMSCYMCRBKC-KRWDZBQOSA-N 1 1 362.433 2.847 50 30 FFEAMO C=CC[N@H+]1[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N[C@H]2CCCC[C@H]21 ZINC000013519463 220071063 /nfs/dbraw/zinc/07/10/63/220071063.db2.gz TVERLAUBMYZBFH-GVDBMIGSSA-N 1 1 361.873 2.966 50 30 FFEAMO C=CC[N@@H+]1[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N[C@H]2CCCC[C@H]21 ZINC000013519463 220071066 /nfs/dbraw/zinc/07/10/66/220071066.db2.gz TVERLAUBMYZBFH-GVDBMIGSSA-N 1 1 361.873 2.966 50 30 FFEAMO Cc1ncc2c(c1C#N)CCN(C(=O)[C@@H]1CCC[N@@H+](Cc3ccco3)C1)C2 ZINC000055227411 221063565 /nfs/dbraw/zinc/06/35/65/221063565.db2.gz ZEQMPFWDKAZQER-MRXNPFEDSA-N 1 1 364.449 2.652 50 30 FFEAMO N#Cc1cc2c(ccn(CC[N@H+]3CCC[C@H](c4ccccc4)C3)c2=O)nc1O ZINC000067675950 221268979 /nfs/dbraw/zinc/26/89/79/221268979.db2.gz FXWXQCPMWIWVRU-KRWDZBQOSA-N 1 1 374.444 2.853 50 30 FFEAMO C=CCC[C@H](C[N@@H+](C)C1CCN(C)CC1)Oc1ccnc(OC)c1C#N ZINC000067974223 221310739 /nfs/dbraw/zinc/31/07/39/221310739.db2.gz KJZJRRICLVSRDP-QGZVFWFLSA-N 1 1 358.486 2.701 50 30 FFEAMO [NH2+]=C(Cc1cccs1)NOC(=O)COc1ccc(Br)cc1 ZINC000005092314 506420369 /nfs/dbraw/zinc/42/03/69/506420369.db2.gz WHGNKACDSDZLNU-UHFFFAOYSA-N 1 1 369.240 2.948 50 30 FFEAMO CCn1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cc1C#N ZINC000091907022 508023656 /nfs/dbraw/zinc/02/36/56/508023656.db2.gz AKFJADFIWNYYJX-VQIMIIECSA-N 1 1 363.465 2.511 50 30 FFEAMO CCn1cc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cc1C#N ZINC000091907022 508023660 /nfs/dbraw/zinc/02/36/60/508023660.db2.gz AKFJADFIWNYYJX-VQIMIIECSA-N 1 1 363.465 2.511 50 30 FFEAMO C=CC[N@H+](C[C@@H](O)COCC)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000245325599 509885675 /nfs/dbraw/zinc/88/56/75/509885675.db2.gz BGXQEDAMVPUSHZ-IAGOWNOFSA-N 1 1 352.862 2.718 50 30 FFEAMO Cc1cnc([C@@H](C)CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)s1 ZINC000330220817 510940415 /nfs/dbraw/zinc/94/04/15/510940415.db2.gz LCKQDDGLZQBNPF-UONOGXRCSA-N 1 1 366.531 2.654 50 30 FFEAMO C=CCNC(=O)NC[C@H]1C[C@@](C)(CO)[N@@H+](CC)[C@H]1c1ccc(Cl)cc1 ZINC000584898108 518529759 /nfs/dbraw/zinc/52/97/59/518529759.db2.gz OQBFDVMZEQAWDW-AYBZRNKSSA-N 1 1 365.905 2.959 50 30 FFEAMO CCCc1nn(C)cc1C(=O)ONC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC000004323996 521556848 /nfs/dbraw/zinc/55/68/48/521556848.db2.gz ISLXAHSAVZJIKB-UHFFFAOYSA-N 1 1 354.332 2.869 50 30 FFEAMO Cn1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(-c2cccnc2)n1 ZINC000095430345 527204510 /nfs/dbraw/zinc/20/45/10/527204510.db2.gz CXGIJAFPNCLEHO-OAQYLSRUSA-N 1 1 372.476 2.865 50 30 FFEAMO C[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1cccc(F)c1 ZINC000012754312 220024825 /nfs/dbraw/zinc/02/48/25/220024825.db2.gz SSHPQWXXIPLLBB-UHFFFAOYSA-N 1 1 354.385 2.596 50 30 FFEAMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1cccc(F)c1 ZINC000012754312 220024826 /nfs/dbraw/zinc/02/48/26/220024826.db2.gz SSHPQWXXIPLLBB-UHFFFAOYSA-N 1 1 354.385 2.596 50 30 FFEAMO N#Cc1cccnc1N1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000252497537 132293017 /nfs/dbraw/zinc/29/30/17/132293017.db2.gz QKBMFQQDSACRQL-HXUWFJFHSA-N 1 1 361.493 2.597 50 30 FFEAMO CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012469405 263370529 /nfs/dbraw/zinc/37/05/29/263370529.db2.gz GQJKKENNZPDUEK-SFHVURJKSA-N 1 1 370.493 2.804 50 30 FFEAMO N#Cc1ccc(C[N@H+]2CCCN(Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000022850286 507314749 /nfs/dbraw/zinc/31/47/49/507314749.db2.gz HLRSRYJRXIQFIN-UHFFFAOYSA-N 1 1 363.421 2.909 50 30 FFEAMO C#CC[N@H+]1CCCC[C@@H]1C(=O)NCCOc1ccccc1C(F)(F)F ZINC000072270358 507771797 /nfs/dbraw/zinc/77/17/97/507771797.db2.gz UQRYXCCREHLDDR-OAHLLOKOSA-N 1 1 354.372 2.688 50 30 FFEAMO C#CC[N@@H+]1CCCC[C@@H]1C(=O)NCCOc1ccccc1C(F)(F)F ZINC000072270358 507771801 /nfs/dbraw/zinc/77/18/01/507771801.db2.gz UQRYXCCREHLDDR-OAHLLOKOSA-N 1 1 354.372 2.688 50 30 FFEAMO N#Cc1cccc(-c2cccc(C(=O)NCCC[N@@H+]3CCC[C@@H](O)C3)c2)c1 ZINC000426443087 513942559 /nfs/dbraw/zinc/94/25/59/513942559.db2.gz WWISNVVIGDZCFS-OAQYLSRUSA-N 1 1 363.461 2.802 50 30 FFEAMO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(c2cc(C#N)ccn2)CC1 ZINC000082108391 535981518 /nfs/dbraw/zinc/98/15/18/535981518.db2.gz QUMRTFHPQRWWME-UHFFFAOYSA-N 1 1 365.485 2.544 50 30 FFEAMO C[NH+](C)[C@@H](C(=O)N1CCN(c2ccccc2C#N)CC1)c1cccc(F)c1 ZINC000092061743 536120421 /nfs/dbraw/zinc/12/04/21/536120421.db2.gz UIODYADZRCTRFD-HXUWFJFHSA-N 1 1 366.440 2.649 50 30 FFEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCCN(Cc3ccccn3)CC2)cc1 ZINC000670453940 571353376 /nfs/dbraw/zinc/35/33/76/571353376.db2.gz ZBQIFBQLRLQUBM-UHFFFAOYSA-N 1 1 363.505 2.912 50 30 FFEAMO CC(C)(O)C#Cc1ccc(CN2CCC[N@H+](Cc3ccccn3)CC2)cc1 ZINC000670453940 571353377 /nfs/dbraw/zinc/35/33/77/571353377.db2.gz ZBQIFBQLRLQUBM-UHFFFAOYSA-N 1 1 363.505 2.912 50 30 FFEAMO CC(C)(O)C#Cc1ccc(CN2CCC[N@@H+](Cc3ccccn3)CC2)cc1 ZINC000670453940 571353378 /nfs/dbraw/zinc/35/33/78/571353378.db2.gz ZBQIFBQLRLQUBM-UHFFFAOYSA-N 1 1 363.505 2.912 50 30 FFEAMO Cc1[nH+]ccn1CCCN1C(=O)C(=Cc2ccc(C#N)cc2)NC1=S ZINC000000988124 219349592 /nfs/dbraw/zinc/34/95/92/219349592.db2.gz LBBDQBVYJZTWML-WJDWOHSUSA-N 1 1 351.435 2.622 50 30 FFEAMO C#CC[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000066686303 221246626 /nfs/dbraw/zinc/24/66/26/221246626.db2.gz PCYVENZFBHTEBA-ROUUACIJSA-N 1 1 364.848 2.867 50 30 FFEAMO C#CC[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000066686303 221246629 /nfs/dbraw/zinc/24/66/29/221246629.db2.gz PCYVENZFBHTEBA-ROUUACIJSA-N 1 1 364.848 2.867 50 30 FFEAMO C=CCC1(CC=C)CCCN1C(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC(C)C ZINC000039371694 506448802 /nfs/dbraw/zinc/44/88/02/506448802.db2.gz QCZKXEGTJHQGQC-GOSISDBHSA-N 1 1 361.530 2.736 50 30 FFEAMO C=CCC1(CC=C)CCCN1C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(C)C ZINC000039371694 506448807 /nfs/dbraw/zinc/44/88/07/506448807.db2.gz QCZKXEGTJHQGQC-GOSISDBHSA-N 1 1 361.530 2.736 50 30 FFEAMO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000024165625 507397117 /nfs/dbraw/zinc/39/71/17/507397117.db2.gz PNRQESZFPYPYLS-UHFFFAOYSA-N 1 1 358.442 2.910 50 30 FFEAMO Cn1cc(C#N)cc1C(=O)N(CCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000095497228 508189752 /nfs/dbraw/zinc/18/97/52/508189752.db2.gz JWJDKOJUGKVUFL-IBGZPJMESA-N 1 1 364.493 2.923 50 30 FFEAMO COc1nccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000328759819 511927858 /nfs/dbraw/zinc/92/78/58/511927858.db2.gz XATLMGSLKKMFQH-OAHLLOKOSA-N 1 1 355.442 2.627 50 30 FFEAMO COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1=O ZINC000329261267 512016542 /nfs/dbraw/zinc/01/65/42/512016542.db2.gz AVULQLCBFNAUGW-NVXWUHKLSA-N 1 1 371.481 2.963 50 30 FFEAMO C=CCN1CC2(CCC1=O)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1C)CC2 ZINC000091440879 518857779 /nfs/dbraw/zinc/85/77/79/518857779.db2.gz JMGBVZXSQXLNRH-MRXNPFEDSA-N 1 1 358.486 2.560 50 30 FFEAMO C[NH+]=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2cccc(OC)c2)C1=O ZINC000100650777 523671010 /nfs/dbraw/zinc/67/10/10/523671010.db2.gz ZPNSZRVISQIIGY-INIZCTEOSA-N 1 1 369.446 2.967 50 30 FFEAMO C=CC[N@@H+]1CC[C@H](CNC(=O)N(C)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000670447972 571351863 /nfs/dbraw/zinc/35/18/63/571351863.db2.gz VCCVFGJFEMVAGT-MRXNPFEDSA-N 1 1 355.486 2.563 50 30 FFEAMO C=CC[N@H+]1CC[C@H](CNC(=O)N(C)CCc2nc3cccc(C)c3[nH]2)C1 ZINC000670447972 571351864 /nfs/dbraw/zinc/35/18/64/571351864.db2.gz VCCVFGJFEMVAGT-MRXNPFEDSA-N 1 1 355.486 2.563 50 30 FFEAMO C=CC[N@@H+]1CC[C@H](CNC(=O)N(C)CCc2nc3cccc(C)c3[nH]2)C1 ZINC000670447972 571351865 /nfs/dbraw/zinc/35/18/65/571351865.db2.gz VCCVFGJFEMVAGT-MRXNPFEDSA-N 1 1 355.486 2.563 50 30 FFEAMO CCc1cc(N2CC[NH+](Cc3ccc(C#CC(C)(C)O)s3)CC2)ncn1 ZINC000823557301 999058284 /nfs/dbraw/zinc/05/82/84/999058284.db2.gz LECGNKWOEJKAHO-UHFFFAOYSA-N 1 1 370.522 2.545 50 30 FFEAMO C#CC1(OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)CCCCC1 ZINC000012342640 532988966 /nfs/dbraw/zinc/98/89/66/532988966.db2.gz UXUBEUMTKHWTPC-GOSISDBHSA-N 1 1 360.473 2.661 50 30 FFEAMO CC(C)(C)c1ccc(C[NH+]2CCN(c3ncc(C#N)c(N)n3)CC2)cc1 ZINC000065375212 221205984 /nfs/dbraw/zinc/20/59/84/221205984.db2.gz ZEMWKWOANYYFFC-UHFFFAOYSA-N 1 1 350.470 2.550 50 30 FFEAMO C[NH+](C)CCOc1cccc(CN2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000218831189 132273086 /nfs/dbraw/zinc/27/30/86/132273086.db2.gz MWJURYDCNGYYRK-UHFFFAOYSA-N 1 1 364.493 2.821 50 30 FFEAMO Cc1ccc(NC(=O)NCC2(N3CC[NH+](C)CC3)CCCC2)cc1C#N ZINC000096137778 222040707 /nfs/dbraw/zinc/04/07/07/222040707.db2.gz XTPFFZYAUQBYPF-UHFFFAOYSA-N 1 1 355.486 2.548 50 30 FFEAMO Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)C[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000097732691 222208600 /nfs/dbraw/zinc/20/86/00/222208600.db2.gz JLJNYECCHITFFR-QGZVFWFLSA-N 1 1 368.481 2.506 50 30 FFEAMO C=CC[N@H+]1[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N[C@H]2CCCC[C@@H]21 ZINC000102562259 222299177 /nfs/dbraw/zinc/29/91/77/222299177.db2.gz TVERLAUBMYZBFH-YESZJQIVSA-N 1 1 361.873 2.966 50 30 FFEAMO C=CC[N@@H+]1[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N[C@H]2CCCC[C@@H]21 ZINC000102562259 222299181 /nfs/dbraw/zinc/29/91/81/222299181.db2.gz TVERLAUBMYZBFH-YESZJQIVSA-N 1 1 361.873 2.966 50 30 FFEAMO CC[C@@H](CNC(=O)COc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000032445991 506255307 /nfs/dbraw/zinc/25/53/07/506255307.db2.gz LGPZQZOVNMMUDY-FQEVSTJZSA-N 1 1 363.461 2.890 50 30 FFEAMO N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000032865316 506305742 /nfs/dbraw/zinc/30/57/42/506305742.db2.gz JSZWVBAOOJKQPE-UHFFFAOYSA-N 1 1 361.492 2.563 50 30 FFEAMO C=CC[N@H+](C[C@@H](O)COCC)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146302 506399838 /nfs/dbraw/zinc/39/98/38/506399838.db2.gz BGXQEDAMVPUSHZ-SJORKVTESA-N 1 1 352.862 2.718 50 30 FFEAMO COc1ccc(CC(=O)ONC(=[NH2+])c2cccc(Br)c2)cc1 ZINC000007067951 506531250 /nfs/dbraw/zinc/53/12/50/506531250.db2.gz BSLKIFBDVOUGHR-UHFFFAOYSA-N 1 1 363.211 2.864 50 30 FFEAMO C=CCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012209791 506836401 /nfs/dbraw/zinc/83/64/01/506836401.db2.gz HGKBVFDZSNGESY-INIZCTEOSA-N 1 1 368.481 2.811 50 30 FFEAMO C=C(C)CN(CC)C(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012702585 506889768 /nfs/dbraw/zinc/88/97/68/506889768.db2.gz XZRNDUFRNLSZRH-SFHVURJKSA-N 1 1 361.530 2.524 50 30 FFEAMO C[N@H+]1CC[C@H](NC(=O)N2CCOc3cc(O)ccc3C2)[C@H]1c1ccccc1 ZINC000329400517 512039884 /nfs/dbraw/zinc/03/98/84/512039884.db2.gz XUSRGJISLLQPDO-AZUAARDMSA-N 1 1 367.449 2.946 50 30 FFEAMO CCC[N@@H+](CC#Cc1ccccc1)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000063846184 521523479 /nfs/dbraw/zinc/52/34/79/521523479.db2.gz CZRVNNBOYHMKEE-UHFFFAOYSA-N 1 1 356.491 2.858 50 30 FFEAMO Cc1ccccc1C[NH+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000022795805 525144040 /nfs/dbraw/zinc/14/40/40/525144040.db2.gz LSVPYSOTOQYBEC-UHFFFAOYSA-N 1 1 368.525 2.798 50 30 FFEAMO [NH2+]=C(NOC(=O)c1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000013518676 526810246 /nfs/dbraw/zinc/81/02/46/526810246.db2.gz DFDNENYNQFSLEZ-UHFFFAOYSA-N 1 1 363.167 2.655 50 30 FFEAMO CC(C)c1nnc2n1CC[N@H+](Cc1ccc(C#CC(C)(C)O)cc1)CC2 ZINC000015009194 220141175 /nfs/dbraw/zinc/14/11/75/220141175.db2.gz SRQZIWPMFSJOHZ-UHFFFAOYSA-N 1 1 352.482 2.582 50 30 FFEAMO COc1c2c(cc3c1[C@@H](C/C(=N/O)c1ccncc1)[N@@H+](C)CC3)OCO2 ZINC000020111929 220312044 /nfs/dbraw/zinc/31/20/44/220312044.db2.gz OMVVQWWNTLLIGV-XWCAUFEOSA-N 1 1 355.394 2.617 50 30 biogenic FFEAMO CN(C(=O)CN1CC[NH+](Cc2cccs2)CC1)C1(C#N)CCCCC1 ZINC000019540341 263374573 /nfs/dbraw/zinc/37/45/73/263374573.db2.gz PCEBHSALVFGLRB-UHFFFAOYSA-N 1 1 360.527 2.551 50 30 FFEAMO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1 ZINC000032800150 506296515 /nfs/dbraw/zinc/29/65/15/506296515.db2.gz ZPYBYKQOPBBVLJ-UHFFFAOYSA-N 1 1 351.406 2.790 50 30 FFEAMO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1 ZINC000032800150 506296525 /nfs/dbraw/zinc/29/65/25/506296525.db2.gz ZPYBYKQOPBBVLJ-UHFFFAOYSA-N 1 1 351.406 2.790 50 30 FFEAMO C[C@@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000033312373 506355878 /nfs/dbraw/zinc/35/58/78/506355878.db2.gz PWFPGAQYQDCVLB-MRXNPFEDSA-N 1 1 361.511 2.691 50 30 FFEAMO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086742 507073909 /nfs/dbraw/zinc/07/39/09/507073909.db2.gz OYPKDNSEVWOEOP-PKOBYXMFSA-N 1 1 354.498 2.765 50 30 FFEAMO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086742 507073917 /nfs/dbraw/zinc/07/39/17/507073917.db2.gz OYPKDNSEVWOEOP-PKOBYXMFSA-N 1 1 354.498 2.765 50 30 FFEAMO C[N@H+](CC(=O)NCCc1cccc2cccnc21)Cc1cccc(C#N)c1 ZINC000046518450 507148082 /nfs/dbraw/zinc/14/80/82/507148082.db2.gz LCZNOYJOKXHQLQ-UHFFFAOYSA-N 1 1 358.445 2.897 50 30 FFEAMO C[N@@H+](CC(=O)NCCc1cccc2cccnc21)Cc1cccc(C#N)c1 ZINC000046518450 507148089 /nfs/dbraw/zinc/14/80/89/507148089.db2.gz LCZNOYJOKXHQLQ-UHFFFAOYSA-N 1 1 358.445 2.897 50 30 FFEAMO Cc1c[nH+]c(C[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1C1CC1 ZINC000257195593 509954775 /nfs/dbraw/zinc/95/47/75/509954775.db2.gz WLIKJDCJSLMENH-MRXNPFEDSA-N 1 1 370.478 2.651 50 30 FFEAMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCO[C@H]3c3nccn3C)sc2C1 ZINC000328957449 511957377 /nfs/dbraw/zinc/95/73/77/511957377.db2.gz OAXIWISFHREQPC-BXUZGUMPSA-N 1 1 361.471 2.620 50 30 FFEAMO CC[N@H+]1CCc2nc(NC(=O)[C@@H]3CCO[C@H]3c3nccn3C)sc2C1 ZINC000328957449 511957384 /nfs/dbraw/zinc/95/73/84/511957384.db2.gz OAXIWISFHREQPC-BXUZGUMPSA-N 1 1 361.471 2.620 50 30 FFEAMO C=CC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(Oc3ccccc3OC)CC2)C1 ZINC000584900816 518531148 /nfs/dbraw/zinc/53/11/48/518531148.db2.gz MNDGPEINSDTINB-KRWDZBQOSA-N 1 1 373.497 2.756 50 30 FFEAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000082117427 521115534 /nfs/dbraw/zinc/11/55/34/521115534.db2.gz KKCXLTDHQXIDPD-CQSZACIVSA-N 1 1 364.442 2.957 50 30 FFEAMO C#CCCC1(CCC(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)N=N1 ZINC000952880460 1011005928 /nfs/dbraw/zinc/00/59/28/1011005928.db2.gz FUFSYQFJIPGMNX-GOSISDBHSA-N 1 1 367.497 2.669 50 30 FFEAMO COc1c2c(cc3c1[C@H](C/C(=N/O)c1ccncc1)[N@@H+](C)CC3)OCO2 ZINC000020111927 220313464 /nfs/dbraw/zinc/31/34/64/220313464.db2.gz OMVVQWWNTLLIGV-JTMDUIFQSA-N 1 1 355.394 2.617 50 30 biogenic FFEAMO CC1=C2[C@H]3OC(=O)[C@@H](C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000020114043 220314687 /nfs/dbraw/zinc/31/46/87/220314687.db2.gz GDXMPYQBACNJOM-WSMXQEIESA-N 1 1 359.466 2.509 50 30 biogenic FFEAMO CC1=C2[C@H]3OC(=O)[C@@H](C[N@H+]4C[C@@H](C)O[C@@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000020114043 220314691 /nfs/dbraw/zinc/31/46/91/220314691.db2.gz GDXMPYQBACNJOM-WSMXQEIESA-N 1 1 359.466 2.509 50 30 biogenic FFEAMO CCCCCCCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000048520853 221013386 /nfs/dbraw/zinc/01/33/86/221013386.db2.gz SWFAOHRAVRZPNH-AWEZNQCLSA-N 1 1 374.489 2.551 50 30 FFEAMO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019367352 263374793 /nfs/dbraw/zinc/37/47/93/263374793.db2.gz KUOVTMLCFKFKAI-JOCHJYFZSA-N 1 1 366.505 2.973 50 30 FFEAMO C=CC[NH2+]Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036154289 506398602 /nfs/dbraw/zinc/39/86/02/506398602.db2.gz RBRHHZRKIWCZEA-UHFFFAOYSA-N 1 1 357.435 2.944 50 30 FFEAMO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2Cc4ccccc4C2)C3)cn1 ZINC000095380198 508180749 /nfs/dbraw/zinc/18/07/49/508180749.db2.gz WWTPYBHIZPFHGS-HRAATJIYSA-N 1 1 372.472 2.657 50 30 FFEAMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)cc1 ZINC000095530226 508197100 /nfs/dbraw/zinc/19/71/00/508197100.db2.gz NWOISJPOPBZUIP-FUHWJXTLSA-N 1 1 352.463 2.638 50 30 FFEAMO C[C@H](NC(=O)CSc1nc2c(cc1C#N)C[N@@H+](C)CC2)c1ccccc1 ZINC000019851703 524976620 /nfs/dbraw/zinc/97/66/20/524976620.db2.gz VLOAMKXOHBTEKY-AWEZNQCLSA-N 1 1 366.490 2.911 50 30 FFEAMO COc1nccc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)c1C#N ZINC000095497254 537145736 /nfs/dbraw/zinc/14/57/36/537145736.db2.gz GBORHYHUTAOLFO-INIZCTEOSA-N 1 1 374.448 2.986 50 30 FFEAMO