smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCc2ccccc21 ZINC000007987608 204312851 /nfs/dbraw/zinc/31/28/51/204312851.db2.gz ZEOPKMVIUCUTJJ-GOSISDBHSA-N 1 1 365.502 4.056 50 30 FIEAMO N#Cc1ccccc1NC(=O)C[N@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000007988593 204313933 /nfs/dbraw/zinc/31/39/33/204313933.db2.gz IMMCBLCQUDMQSJ-UHFFFAOYSA-N 1 1 365.452 4.471 50 30 FIEAMO C[NH+](C)C=CC(=CC(=O)C(F)(F)F)Nc1ccc(C(F)(F)F)cc1 ZINC000050400374 205177769 /nfs/dbraw/zinc/17/77/69/205177769.db2.gz BGPHVZCDJOJOFG-ANKZSMJWSA-N 1 1 352.278 4.208 50 30 FIEAMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072304988 521733046 /nfs/dbraw/zinc/73/30/46/521733046.db2.gz GGGTXVAZGFXVAT-ICSRJNTNSA-N 1 1 373.566 4.156 50 30 FIEAMO C=CCC(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012308324 568120667 /nfs/dbraw/zinc/12/06/67/568120667.db2.gz PVBAUOKLMULUHJ-HXUWFJFHSA-N 1 1 355.526 4.031 50 30 FIEAMO C=CCOc1c(Cl)cc(C[N@H+](C)[C@@H](C)c2ccncn2)cc1OCC ZINC000055269864 571058740 /nfs/dbraw/zinc/05/87/40/571058740.db2.gz AHOKAVXRQPVZBQ-AWEZNQCLSA-N 1 1 361.873 4.287 50 30 FIEAMO C=CCOc1c(Cl)cc(C[N@@H+](C)[C@@H](C)c2ccncn2)cc1OCC ZINC000055269864 571058743 /nfs/dbraw/zinc/05/87/43/571058743.db2.gz AHOKAVXRQPVZBQ-AWEZNQCLSA-N 1 1 361.873 4.287 50 30 FIEAMO OCC#Cc1ccc(C[N@H+]2CC[C@H](c3ccnc(-c4ccccc4)c3)C2)s1 ZINC000065374019 571073809 /nfs/dbraw/zinc/07/38/09/571073809.db2.gz SWUFLDQGCWHWEE-FQEVSTJZSA-N 1 1 374.509 4.143 50 30 FIEAMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000040122941 571081257 /nfs/dbraw/zinc/08/12/57/571081257.db2.gz OUVPFEQEQVTEIY-AWEZNQCLSA-N 1 1 357.479 4.040 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3c(O)ccc4ccccc43)CC2)cc1 ZINC000033089333 571155190 /nfs/dbraw/zinc/15/51/90/571155190.db2.gz NUQJUDXIJOFSQB-JLPGSUDCSA-N 1 1 359.473 4.006 50 30 FIEAMO CCCCCCCOc1cccc(C[NH2+]Cc2ccnc(N(C)C)n2)c1 ZINC000097971435 571205486 /nfs/dbraw/zinc/20/54/86/571205486.db2.gz ZALGHHWPIODQTJ-UHFFFAOYSA-N 1 1 356.514 4.182 50 30 FIEAMO C[NH+](C)[C@@H](CNc1oc(-c2ccco2)nc1C#N)c1ccccc1Cl ZINC000027990985 571337407 /nfs/dbraw/zinc/33/74/07/571337407.db2.gz WEHGWFNETPZIQR-HNNXBMFYSA-N 1 1 356.813 4.174 50 30 FIEAMO CCCCNC(=S)N[NH+]=Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000263630161 1103143280 /nfs/dbraw/zinc/14/32/80/1103143280.db2.gz JYSUFKLJJVXMSL-UHFFFAOYSA-N 1 1 368.550 4.311 50 30 FIEAMO CCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2cccc(CC)c2)cc1 ZINC000003049974 204075272 /nfs/dbraw/zinc/07/52/72/204075272.db2.gz NBFHMRHGWSVMAR-RCCKNPSSSA-N 1 1 354.523 4.416 50 30 FIEAMO CCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2cccc(C)c2C)cc1 ZINC000003051078 204075289 /nfs/dbraw/zinc/07/52/89/204075289.db2.gz AITAJJXUGCXAFL-KGENOOAVSA-N 1 1 354.523 4.470 50 30 FIEAMO C[N@H+]1CC[C@](C)(Cn2cnc(-c3ccccc3)c2-c2cccc(C#N)c2)C1 ZINC000065373120 205341835 /nfs/dbraw/zinc/34/18/35/205341835.db2.gz LBTZGHRSFXJYPE-QHCPKHFHSA-N 1 1 356.473 4.431 50 30 FIEAMO C[N@H+]1CC[C@@](C)(Cn2cnc(-c3ccccc3)c2-c2cccc(C#N)c2)C1 ZINC000065373121 205342063 /nfs/dbraw/zinc/34/20/63/205342063.db2.gz LBTZGHRSFXJYPE-HSZRJFAPSA-N 1 1 356.473 4.431 50 30 FIEAMO C#Cc1ccc(C[N@@H+](C)C[C@H]2CCCN(CCc3ccccc3F)C2)cc1 ZINC000012076661 263369327 /nfs/dbraw/zinc/36/93/27/263369327.db2.gz RBZITKHPGGMOAZ-JOCHJYFZSA-N 1 1 364.508 4.194 50 30 FIEAMO C=CCNC(=O)[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669689 518929227 /nfs/dbraw/zinc/92/92/27/518929227.db2.gz DCOHHRQTUBHIPK-FPOVZHCZSA-N 1 1 352.453 4.081 50 30 FIEAMO [NH2+]=C(NOC(=O)Nc1ccccc1)c1ccc(C2SCCS2)cc1 ZINC000004382689 526809377 /nfs/dbraw/zinc/80/93/77/526809377.db2.gz OKRRWVNPCLGMGS-UHFFFAOYSA-N 1 1 359.476 4.034 50 30 FIEAMO Cc1onc(-c2ccccc2)c1NC(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004322690 526847443 /nfs/dbraw/zinc/84/74/43/526847443.db2.gz CQYZAPUGWXOSLO-UHFFFAOYSA-N 1 1 370.796 4.172 50 30 FIEAMO C(=N\N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)\c1cccs1 ZINC000019771422 570902741 /nfs/dbraw/zinc/90/27/41/570902741.db2.gz YUZJKYFZDZVAHH-NKFKGCMQSA-N 1 1 361.514 4.489 50 30 FIEAMO CC[C@@H](C)[N@@H+](CC#Cc1ccccc1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055061223 571057722 /nfs/dbraw/zinc/05/77/22/571057722.db2.gz DPOSONREJBDFPL-QGZVFWFLSA-N 1 1 362.448 4.319 50 30 FIEAMO C[N@@H+](CC#CCC1(O)c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000055496508 571059049 /nfs/dbraw/zinc/05/90/49/571059049.db2.gz SFZKDHRWZHYASG-UHFFFAOYSA-N 1 1 353.465 4.428 50 30 FIEAMO C=CCc1ccc(OCC[N@H+]2CCCC[C@H]2c2cccnc2)c(OC)c1 ZINC000008792538 571061907 /nfs/dbraw/zinc/06/19/07/571061907.db2.gz HGBFDCGNPIAHQI-FQEVSTJZSA-N 1 1 352.478 4.425 50 30 biogenic FIEAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2C#N)cc1 ZINC000012911037 571143963 /nfs/dbraw/zinc/14/39/63/571143963.db2.gz GVQLYBWYBLFWCU-OAQYLSRUSA-N 1 1 363.461 4.123 50 30 FIEAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccccc2C#N)cc1 ZINC000012911037 571143966 /nfs/dbraw/zinc/14/39/66/571143966.db2.gz GVQLYBWYBLFWCU-OAQYLSRUSA-N 1 1 363.461 4.123 50 30 FIEAMO CCCN(CC)c1ccc(/C=[NH+]\NC(=S)Nc2ccccc2OC)cc1 ZINC000033096942 571155209 /nfs/dbraw/zinc/15/52/09/571155209.db2.gz WEGPBCBEUKFCJH-QNGOZBTKSA-N 1 1 370.522 4.252 50 30 FIEAMO CCN1CCCc2cc(/C=[NH+]\NC(=S)Nc3cccc(C)c3)ccc21 ZINC000033096896 571155234 /nfs/dbraw/zinc/15/52/34/571155234.db2.gz ISEWVCNUUXJXQT-STZFKDTASA-N 1 1 352.507 4.088 50 30 FIEAMO CC(C)NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023243183 571236612 /nfs/dbraw/zinc/23/66/12/571236612.db2.gz PYTKEDUGZBYZCZ-UHFFFAOYSA-N 1 1 353.535 4.088 50 30 FIEAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000012995018 571322923 /nfs/dbraw/zinc/32/29/23/571322923.db2.gz SEIHYCCTCLQVCS-OAQYLSRUSA-N 1 1 363.461 4.123 50 30 FIEAMO C[N@H+]1CCc2nc(SCc3cccc(C(F)(F)F)c3)c(C#N)cc2C1 ZINC000019597366 571326586 /nfs/dbraw/zinc/32/65/86/571326586.db2.gz XQBUTMHXTGXNPP-UHFFFAOYSA-N 1 1 363.408 4.252 50 30 FIEAMO C[N@H+]1CCc2nc(SCc3ccccc3C(F)(F)F)c(C#N)cc2C1 ZINC000020000556 571327847 /nfs/dbraw/zinc/32/78/47/571327847.db2.gz QWKMUEVMKZQWFR-UHFFFAOYSA-N 1 1 363.408 4.252 50 30 FIEAMO C=CCNC(=O)[C@@H]1C[C@@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2F)C1 ZINC000034711416 518920567 /nfs/dbraw/zinc/92/05/67/518920567.db2.gz HCIHRRHFRRIKPK-NHCUHLMSSA-N 1 1 366.480 4.042 50 30 FIEAMO CC[C@@H](C)[N@@H+](CC#Cc1ccccc1)Cc1cc(OC)c(O)c(OC)c1 ZINC000063847917 522067067 /nfs/dbraw/zinc/06/70/67/522067067.db2.gz CLXCZZQDYRYWQE-QGZVFWFLSA-N 1 1 353.462 4.062 50 30 FIEAMO C[N@H+](CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)C1CCCCC1 ZINC000058980025 522532343 /nfs/dbraw/zinc/53/23/43/522532343.db2.gz HCTOOUUMRMEUOI-QGZVFWFLSA-N 1 1 353.491 4.251 50 30 FIEAMO C[N@@H+](CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)C1CCCCC1 ZINC000058980025 522532347 /nfs/dbraw/zinc/53/23/47/522532347.db2.gz HCTOOUUMRMEUOI-QGZVFWFLSA-N 1 1 353.491 4.251 50 30 FIEAMO CC[C@H](C)[N@@H+](CC#Cc1ccccc1)Cc1cc(OC)c(O)c(OC)c1 ZINC000063847919 523924921 /nfs/dbraw/zinc/92/49/21/523924921.db2.gz CLXCZZQDYRYWQE-KRWDZBQOSA-N 1 1 353.462 4.062 50 30 FIEAMO NC(=[NH+]OCc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CCCC1 ZINC000063455512 526805331 /nfs/dbraw/zinc/80/53/31/526805331.db2.gz BTSZEPGCRCKGFC-UHFFFAOYSA-N 1 1 355.225 4.022 50 30 FIEAMO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000329036561 570521652 /nfs/dbraw/zinc/52/16/52/570521652.db2.gz CJUKWHPTHAABLV-KSZLIROESA-N 1 1 351.475 4.476 50 30 FIEAMO C=CC[N@H+](C)Cc1ccc(C(=O)Nc2ccc(Oc3ncccn3)cc2)cc1 ZINC000083859378 571054460 /nfs/dbraw/zinc/05/44/60/571054460.db2.gz OXKSYRBOTVRWCA-UHFFFAOYSA-N 1 1 374.444 4.139 50 30 FIEAMO C#CC[N@H+](Cc1nc(-c2ccc(OC)c(OC)c2)oc1C)C1CCCCC1 ZINC000020351249 571141375 /nfs/dbraw/zinc/14/13/75/571141375.db2.gz YVVOJHPOKKOLRG-UHFFFAOYSA-N 1 1 368.477 4.435 50 30 FIEAMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](c1ccccc1Cl)n1cccn1 ZINC000328591633 571323531 /nfs/dbraw/zinc/32/35/31/571323531.db2.gz BZVVFSYUOQBDRE-IUVQAAGXSA-N 1 1 374.916 4.201 50 30 FIEAMO O=C1CCCC2=C1C1(CCCCC1)[NH+]=C(Nc1nc3ccccc3s1)N2 ZINC000006492430 204250960 /nfs/dbraw/zinc/25/09/60/204250960.db2.gz HYWJJBKTYSRNCI-UHFFFAOYSA-N 1 1 366.490 4.377 50 30 FIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CCc5ccccc5C4)[C@H]3C[C@@H]12 ZINC000012884658 206296870 /nfs/dbraw/zinc/29/68/70/206296870.db2.gz NGDNTENCUITPCQ-KQWJERSKSA-N 1 1 365.517 4.359 50 30 biogenic FIEAMO C[N@@H+](CC#CCC(O)(c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000055468396 522418078 /nfs/dbraw/zinc/41/80/78/522418078.db2.gz OUGVEZXLCRBUBA-UHFFFAOYSA-N 1 1 355.481 4.448 50 30 FIEAMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000023804728 525209306 /nfs/dbraw/zinc/20/93/06/525209306.db2.gz OPQVSNMRRDLLPZ-CHWSQXEVSA-N 1 1 374.466 4.284 50 30 FIEAMO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000329036563 570521686 /nfs/dbraw/zinc/52/16/86/570521686.db2.gz CJUKWHPTHAABLV-KURKYZTESA-N 1 1 351.475 4.476 50 30 FIEAMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1[C@H]1CCCO1 ZINC000329823182 570625513 /nfs/dbraw/zinc/62/55/13/570625513.db2.gz HOJPIICYBNDBEJ-SJLPKXTDSA-N 1 1 361.873 4.079 50 30 FIEAMO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000026924674 571009098 /nfs/dbraw/zinc/00/90/98/571009098.db2.gz ZKXBTNNPSHAOJR-GOSISDBHSA-N 1 1 362.433 4.470 50 30 FIEAMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000026924674 571009104 /nfs/dbraw/zinc/00/91/04/571009104.db2.gz ZKXBTNNPSHAOJR-GOSISDBHSA-N 1 1 362.433 4.470 50 30 FIEAMO OCC#Cc1ccc(C[N@H+]2CC[C@H](c3ccnc(-c4ccccc4)c3)C2)cc1 ZINC000065376635 571073634 /nfs/dbraw/zinc/07/36/34/571073634.db2.gz QBENRMNFPWBMIH-DEOSSOPVSA-N 1 1 368.480 4.082 50 30 FIEAMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2ccccc2)c1C#N ZINC000012486908 571172837 /nfs/dbraw/zinc/17/28/37/571172837.db2.gz SPCDJJABOGKNIG-UHFFFAOYSA-N 1 1 364.493 4.162 50 30 FIEAMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2ccccc2)c1C#N ZINC000012486908 571172839 /nfs/dbraw/zinc/17/28/39/571172839.db2.gz SPCDJJABOGKNIG-UHFFFAOYSA-N 1 1 364.493 4.162 50 30 FIEAMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000016376314 571174127 /nfs/dbraw/zinc/17/41/27/571174127.db2.gz MDYNRLCNDARGOF-UHFFFAOYSA-N 1 1 361.367 4.038 50 30 FIEAMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000016376314 571174129 /nfs/dbraw/zinc/17/41/29/571174129.db2.gz MDYNRLCNDARGOF-UHFFFAOYSA-N 1 1 361.367 4.038 50 30 FIEAMO C=CCOc1ccc(C[N@H+]2CCC[C@H](n3nccc3C(F)(F)F)C2)cc1 ZINC000095995877 571333579 /nfs/dbraw/zinc/33/35/79/571333579.db2.gz SNLPNNDFVCVBLH-INIZCTEOSA-N 1 1 365.399 4.304 50 30 FIEAMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](n3nccc3C(F)(F)F)C2)cc1 ZINC000095995877 571333580 /nfs/dbraw/zinc/33/35/80/571333580.db2.gz SNLPNNDFVCVBLH-INIZCTEOSA-N 1 1 365.399 4.304 50 30 FIEAMO CCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2ccccc2OCC)cc1 ZINC000003051105 204076023 /nfs/dbraw/zinc/07/60/23/204076023.db2.gz AHNVSZDWPGHZIS-RCCKNPSSSA-N 1 1 370.522 4.252 50 30 FIEAMO C=CCC[C@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc2c(c1)OCO2 ZINC000036101931 518726360 /nfs/dbraw/zinc/72/63/60/518726360.db2.gz PQQBLUBOMMQYSY-FQEVSTJZSA-N 1 1 353.462 4.053 50 30 FIEAMO CCc1ccccc1NC(=S)N/[NH+]=C/c1ccc2c(c1)CCCN2CC ZINC000003036805 521909669 /nfs/dbraw/zinc/90/96/69/521909669.db2.gz DLYPTHDGMNLRPS-PXLXIMEGSA-N 1 1 366.534 4.342 50 30 FIEAMO C[N@H+](CC(=O)NCCc1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000082120968 522403590 /nfs/dbraw/zinc/40/35/90/522403590.db2.gz JGOCEEJALBKFOI-UHFFFAOYSA-N 1 1 350.384 4.336 50 30 FIEAMO C[N@@H+](CC(=O)NCCc1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000082120968 522403599 /nfs/dbraw/zinc/40/35/99/522403599.db2.gz JGOCEEJALBKFOI-UHFFFAOYSA-N 1 1 350.384 4.336 50 30 FIEAMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000015301435 524406609 /nfs/dbraw/zinc/40/66/09/524406609.db2.gz WKBKNNMTUBIVEO-LJQANCHMSA-N 1 1 367.518 4.449 50 30 FIEAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000036396313 526037700 /nfs/dbraw/zinc/03/77/00/526037700.db2.gz VHDVSVWGAABSPJ-QGZVFWFLSA-N 1 1 361.445 4.372 50 30 FIEAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000036396313 526037709 /nfs/dbraw/zinc/03/77/09/526037709.db2.gz VHDVSVWGAABSPJ-QGZVFWFLSA-N 1 1 361.445 4.372 50 30 FIEAMO Cc1onc(-c2ccccc2Cl)c1C(=O)ONC(=[NH2+])c1cccc(C)c1 ZINC000004200267 526850277 /nfs/dbraw/zinc/85/02/77/526850277.db2.gz HHCWSDNHWDHCPP-UHFFFAOYSA-N 1 1 369.808 4.089 50 30 FIEAMO C=CCOc1ccccc1CN1CC[N@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000584904388 570663611 /nfs/dbraw/zinc/66/36/11/570663611.db2.gz AXUQLSJSDPQESN-FYYLOGMGSA-N 1 1 354.538 4.480 50 30 FIEAMO C=CC[C@]1(CO)CCC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000091848922 571063477 /nfs/dbraw/zinc/06/34/77/571063477.db2.gz KAABAIGBYXJGCS-QHCPKHFHSA-N 1 1 351.490 4.416 50 30 FIEAMO OCC#Cc1ccc(C[N@H+]2CC[C@@H](c3ccnc(-c4ccccc4)c3)C2)cc1 ZINC000065376633 571073794 /nfs/dbraw/zinc/07/37/94/571073794.db2.gz QBENRMNFPWBMIH-XMMPIXPASA-N 1 1 368.480 4.082 50 30 FIEAMO Cc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1F ZINC000052212754 571141569 /nfs/dbraw/zinc/14/15/69/571141569.db2.gz CLJPYXKCWHEBJW-HXUWFJFHSA-N 1 1 365.452 4.218 50 30 FIEAMO Cc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1F ZINC000052212754 571141572 /nfs/dbraw/zinc/14/15/72/571141572.db2.gz CLJPYXKCWHEBJW-HXUWFJFHSA-N 1 1 365.452 4.218 50 30 FIEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1C ZINC000036104641 571242310 /nfs/dbraw/zinc/24/23/10/571242310.db2.gz VZMJNVLLZKAQFH-FQEVSTJZSA-N 1 1 353.462 4.053 50 30 FIEAMO CC[C@@H](C)NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020097970 571327994 /nfs/dbraw/zinc/32/79/94/571327994.db2.gz LAFUQJYWUTXWFY-GOSISDBHSA-N 1 1 367.562 4.478 50 30 FIEAMO N#Cc1c(Cl)nsc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000051592334 205183751 /nfs/dbraw/zinc/18/37/51/205183751.db2.gz SCINCMWMYMOQDW-UHFFFAOYSA-N 1 1 367.305 4.034 50 30 FIEAMO N#Cc1c(Cl)nsc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000051592334 205183754 /nfs/dbraw/zinc/18/37/54/205183754.db2.gz SCINCMWMYMOQDW-UHFFFAOYSA-N 1 1 367.305 4.034 50 30 FIEAMO CCCN1CCCc2cc(/C=[NH+]/NC(=S)Nc3cccc(C)c3)ccc21 ZINC000003053140 534914214 /nfs/dbraw/zinc/91/42/14/534914214.db2.gz PSQNCJSFSZLORF-PXLXIMEGSA-N 1 1 366.534 4.478 50 30 FIEAMO OCC#Cc1csc(C[N@@H+](Cc2cccnc2)C2CCCCCC2)c1 ZINC000055052904 527521526 /nfs/dbraw/zinc/52/15/26/527521526.db2.gz GSEBEUAEEVQPPA-UHFFFAOYSA-N 1 1 354.519 4.212 50 30 FIEAMO CSc1ccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1 ZINC000019791010 570902933 /nfs/dbraw/zinc/90/29/33/570902933.db2.gz BJXHKJWEHKPVJK-PXLXIMEGSA-N 1 1 353.535 4.177 50 30 FIEAMO Cc1ccsc1C[N@H+](Cc1cc(C#CCO)cs1)Cc1ccccn1 ZINC000055253821 571058696 /nfs/dbraw/zinc/05/86/96/571058696.db2.gz MJSMJYJNRCKXEZ-UHFFFAOYSA-N 1 1 368.527 4.059 50 30 FIEAMO Cc1ccsc1C[N@@H+](Cc1cc(C#CCO)cs1)Cc1ccccn1 ZINC000055253821 571058697 /nfs/dbraw/zinc/05/86/97/571058697.db2.gz MJSMJYJNRCKXEZ-UHFFFAOYSA-N 1 1 368.527 4.059 50 30 FIEAMO C=CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)CCc1ccccc1 ZINC000001299711 571123726 /nfs/dbraw/zinc/12/37/26/571123726.db2.gz UNMNQJGQYLXPDS-UTKZUKDTSA-N 1 1 354.450 4.138 50 30 FIEAMO COc1ccc2cc(C[N@@H+](C)CCC(=O)Nc3ccccc3C#N)ccc2c1 ZINC000012938250 571151994 /nfs/dbraw/zinc/15/19/94/571151994.db2.gz HYMMWEWXKMBQRR-UHFFFAOYSA-N 1 1 373.456 4.181 50 30 FIEAMO C[NH+](C)[C@H](CNc1oc(-c2ccco2)nc1C#N)c1ccccc1Cl ZINC000027990991 571337376 /nfs/dbraw/zinc/33/73/76/571337376.db2.gz WEHGWFNETPZIQR-OAHLLOKOSA-N 1 1 356.813 4.174 50 30 FIEAMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1 ZINC000002623282 204046145 /nfs/dbraw/zinc/04/61/45/204046145.db2.gz OZJLCASOWAVAMW-UHFFFAOYSA-N 1 1 367.518 4.349 50 30 FIEAMO COc1ccc(N=C2NC(=[NH+]c3ccc(OC)cc3)c3ccccc32)cc1 ZINC000005695517 204220772 /nfs/dbraw/zinc/22/07/72/204220772.db2.gz ARROBXXOCQYJKA-UHFFFAOYSA-N 1 1 357.413 4.464 50 30 FIEAMO C=CC[N@@H+]1CCc2c(Br)c(O)c(O)cc2[C@H](c2ccccc2)C1 ZINC000002530682 206103307 /nfs/dbraw/zinc/10/33/07/206103307.db2.gz KKZGFVAZUKHFAC-INIZCTEOSA-N 1 1 374.278 4.036 50 30 FIEAMO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000005065370 263338823 /nfs/dbraw/zinc/33/88/23/263338823.db2.gz VTRCROFOHZWFOT-ZDUSSCGKSA-N 1 1 374.868 4.269 50 30 FIEAMO C=CCOc1ccccc1NC(=O)N1CCC(CCn2cc[nH+]c2C)CC1 ZINC000299756358 519072025 /nfs/dbraw/zinc/07/20/25/519072025.db2.gz GRHLEPYWPSXZLY-UHFFFAOYSA-N 1 1 368.481 4.091 50 30 FIEAMO C=CCC(=O)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012308325 568120715 /nfs/dbraw/zinc/12/07/15/568120715.db2.gz PVBAUOKLMULUHJ-FQEVSTJZSA-N 1 1 355.526 4.031 50 30 FIEAMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CCc2ccccc2)CC1 ZINC000011720398 570592680 /nfs/dbraw/zinc/59/26/80/570592680.db2.gz AFMIGWQCHRHQOB-GOSISDBHSA-N 1 1 361.489 4.230 50 30 FIEAMO C=CCOc1ccc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000091594272 571063085 /nfs/dbraw/zinc/06/30/85/571063085.db2.gz LRBFSQDDOLCXQC-XZOQPEGZSA-N 1 1 362.517 4.348 50 30 FIEAMO C=CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)cc1 ZINC000091594272 571063086 /nfs/dbraw/zinc/06/30/86/571063086.db2.gz LRBFSQDDOLCXQC-XZOQPEGZSA-N 1 1 362.517 4.348 50 30 FIEAMO C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)cc1 ZINC000091594272 571063087 /nfs/dbraw/zinc/06/30/87/571063087.db2.gz LRBFSQDDOLCXQC-XZOQPEGZSA-N 1 1 362.517 4.348 50 30 FIEAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2C#N)cc1 ZINC000012911032 571143995 /nfs/dbraw/zinc/14/39/95/571143995.db2.gz GVQLYBWYBLFWCU-NRFANRHFSA-N 1 1 363.461 4.123 50 30 FIEAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccccc2C#N)cc1 ZINC000012911032 571143997 /nfs/dbraw/zinc/14/39/97/571143997.db2.gz GVQLYBWYBLFWCU-NRFANRHFSA-N 1 1 363.461 4.123 50 30 FIEAMO C=CCN(CC=C)C(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000004682110 571160246 /nfs/dbraw/zinc/16/02/46/571160246.db2.gz QMMCWCBIKRUKJY-UHFFFAOYSA-N 1 1 367.320 4.406 50 30 FIEAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(C#N)cc1)[NH2+]C2 ZINC000020528583 571330683 /nfs/dbraw/zinc/33/06/83/571330683.db2.gz OPHMJADRAWNKTP-QHCPKHFHSA-N 1 1 373.456 4.339 50 30 FIEAMO Cc1c2ccccc2oc1C(=O)ONC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC000004336077 204134504 /nfs/dbraw/zinc/13/45/04/204134504.db2.gz LNFJGECRDGWTQY-UHFFFAOYSA-N 1 1 362.307 4.237 50 30 FIEAMO N#Cc1ccccc1C[NH+]1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000070635534 205023150 /nfs/dbraw/zinc/02/31/50/205023150.db2.gz INZNHUYCAMGVNE-UHFFFAOYSA-N 1 1 362.408 4.127 50 30 FIEAMO C=CC[N@H+]1C[C@@H](C(=O)Nc2ccc(OC)cc2)CC[C@@H]1c1ccccc1 ZINC000037545933 206047771 /nfs/dbraw/zinc/04/77/71/206047771.db2.gz VDNPYHSIJHSIRO-GHTZIAJQSA-N 1 1 350.462 4.273 50 30 FIEAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)CON=C1c2ccccc2-c2ccccc21 ZINC000005554306 206194798 /nfs/dbraw/zinc/19/47/98/206194798.db2.gz IGMGKOIULCISEA-KSZLIROESA-N 1 1 364.489 4.060 50 30 FIEAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)CON=C1c2ccccc2-c2ccccc21 ZINC000011612351 206283671 /nfs/dbraw/zinc/28/36/71/206283671.db2.gz IGMGKOIULCISEA-FGTMMUONSA-N 1 1 364.489 4.060 50 30 FIEAMO C=CCNC(=O)[C@H]1C[C@@H](c2cccc(C)c2)C[N@H+](Cc2ccc(F)cc2)C1 ZINC000034711442 518929330 /nfs/dbraw/zinc/92/93/30/518929330.db2.gz GDVNGPATRRQDMF-RTWAWAEBSA-N 1 1 366.480 4.042 50 30 FIEAMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1C ZINC000048309244 524896612 /nfs/dbraw/zinc/89/66/12/524896612.db2.gz CFVGIFAZOANBOI-HXUWFJFHSA-N 1 1 367.518 4.449 50 30 FIEAMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)cc1C ZINC000048309244 524896621 /nfs/dbraw/zinc/89/66/21/524896621.db2.gz CFVGIFAZOANBOI-HXUWFJFHSA-N 1 1 367.518 4.449 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccccc3C(F)(F)F)CC2)cc1 ZINC000019833213 570904518 /nfs/dbraw/zinc/90/45/18/570904518.db2.gz OWZDQYCWIQKCCM-ZVHZXABRSA-N 1 1 361.411 4.166 50 30 FIEAMO COc1cccc([C@H]2CCC[N@H+]2CCCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000244723908 571089364 /nfs/dbraw/zinc/08/93/64/571089364.db2.gz MJTYEYAUOCUYDI-OAQYLSRUSA-N 1 1 363.461 4.123 50 30 FIEAMO C=CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CCc1ccccc1 ZINC000004423816 571102240 /nfs/dbraw/zinc/10/22/40/571102240.db2.gz UNMNQJGQYLXPDS-UWJYYQICSA-N 1 1 354.450 4.138 50 30 FIEAMO C=C(C)C[N@H+](CC)Cc1cc2ccc(C)cc2n(Cc2ccccn2)c1=O ZINC000011963441 571117182 /nfs/dbraw/zinc/11/71/82/571117182.db2.gz KTVLYQLDXQBGFJ-UHFFFAOYSA-N 1 1 361.489 4.151 50 30 FIEAMO Cc1ccc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@H](C)C3)C2=O)cc1C ZINC000226757226 209368729 /nfs/dbraw/zinc/36/87/29/209368729.db2.gz SWIJQIWLIYQYSS-DYYXWGBJSA-N 1 1 361.489 4.460 50 30 FIEAMO Cc1ccc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@H](C)C3)C2=O)cc1C ZINC000226757226 209368730 /nfs/dbraw/zinc/36/87/30/209368730.db2.gz SWIJQIWLIYQYSS-DYYXWGBJSA-N 1 1 361.489 4.460 50 30 FIEAMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1 ZINC000048361863 209333058 /nfs/dbraw/zinc/33/30/58/209333058.db2.gz FRONSYKXYWRHQH-SFHVURJKSA-N 1 1 361.489 4.361 50 30 FIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)Cc4ccccc4)[C@H]3C[C@@H]12 ZINC000012865287 220036894 /nfs/dbraw/zinc/03/68/94/220036894.db2.gz GZTKHMWCEUGWEE-DLBZZEGUSA-N 1 1 353.506 4.433 50 30 biogenic FIEAMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000106099575 518780938 /nfs/dbraw/zinc/78/09/38/518780938.db2.gz RUMSCAMATHWSDW-LSDHHAIUSA-N 1 1 369.962 4.220 50 30 FIEAMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000058167239 571062633 /nfs/dbraw/zinc/06/26/33/571062633.db2.gz RUMSCAMATHWSDW-CABCVRRESA-N 1 1 369.962 4.220 50 30 FIEAMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000058167240 571062726 /nfs/dbraw/zinc/06/27/26/571062726.db2.gz RUMSCAMATHWSDW-GJZGRUSLSA-N 1 1 369.962 4.220 50 30 FIEAMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000330233282 1091154712 /nfs/dbraw/zinc/15/47/12/1091154712.db2.gz FYOJEGMGFWNNQL-FUEDEBDSSA-N 1 1 353.800 4.165 50 30 FIEAMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000330233282 1091154718 /nfs/dbraw/zinc/15/47/18/1091154718.db2.gz FYOJEGMGFWNNQL-FUEDEBDSSA-N 1 1 353.800 4.165 50 30 FIEAMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(C(F)(F)F)cc1 ZINC000008092417 207219729 /nfs/dbraw/zinc/21/97/29/207219729.db2.gz IPOGMGPDKFGSIH-UHFFFAOYSA-N 1 1 367.396 4.099 50 30 FIEAMO C[N@H+](CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)C1CCCCC1 ZINC000058980034 522531897 /nfs/dbraw/zinc/53/18/97/522531897.db2.gz HCTOOUUMRMEUOI-KRWDZBQOSA-N 1 1 353.491 4.251 50 30 FIEAMO C[N@@H+](CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)C1CCCCC1 ZINC000058980034 522531902 /nfs/dbraw/zinc/53/19/02/522531902.db2.gz HCTOOUUMRMEUOI-KRWDZBQOSA-N 1 1 353.491 4.251 50 30 FIEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000048289358 526447614 /nfs/dbraw/zinc/44/76/14/526447614.db2.gz UOQQFTSWTMWOLC-HXUWFJFHSA-N 1 1 367.880 4.424 50 30 FIEAMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000048289358 526447617 /nfs/dbraw/zinc/44/76/17/526447617.db2.gz UOQQFTSWTMWOLC-HXUWFJFHSA-N 1 1 367.880 4.424 50 30 FIEAMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)o1 ZINC000071763026 570511947 /nfs/dbraw/zinc/51/19/47/570511947.db2.gz JFSPBFCRTZNXDD-NRFANRHFSA-N 1 1 358.441 4.262 50 30 FIEAMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)o1 ZINC000071763026 570511954 /nfs/dbraw/zinc/51/19/54/570511954.db2.gz JFSPBFCRTZNXDD-NRFANRHFSA-N 1 1 358.441 4.262 50 30 FIEAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000012995016 571322886 /nfs/dbraw/zinc/32/28/86/571322886.db2.gz SEIHYCCTCLQVCS-NRFANRHFSA-N 1 1 363.461 4.123 50 30 FIEAMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000330233283 1091155147 /nfs/dbraw/zinc/15/51/47/1091155147.db2.gz FYOJEGMGFWNNQL-HQQWDMGQSA-N 1 1 353.800 4.165 50 30 FIEAMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000330233283 1091155151 /nfs/dbraw/zinc/15/51/51/1091155151.db2.gz FYOJEGMGFWNNQL-HQQWDMGQSA-N 1 1 353.800 4.165 50 30 FIEAMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCc2ccccc21 ZINC000008073155 207218214 /nfs/dbraw/zinc/21/82/14/207218214.db2.gz LNIGHXQXUCXSRG-IBGZPJMESA-N 1 1 353.853 4.160 50 30 FIEAMO C/C(=N\N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1cccnc1 ZINC000012342955 207362455 /nfs/dbraw/zinc/36/24/55/207362455.db2.gz LYRHBDYLHIRALJ-NLRVBDNBSA-N 1 1 368.484 4.193 50 30 FIEAMO C#Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccccc3F)C2)cc1 ZINC000012076660 263368939 /nfs/dbraw/zinc/36/89/39/263368939.db2.gz RBZITKHPGGMOAZ-QFIPXVFZSA-N 1 1 364.508 4.194 50 30 FIEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1OC ZINC000036103781 518718681 /nfs/dbraw/zinc/71/86/81/518718681.db2.gz WMZXGZFZQMPHCG-HXUWFJFHSA-N 1 1 373.468 4.172 50 30 FIEAMO C=CCNC(=O)[C@H]1C[C@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2F)C1 ZINC000034711415 518930446 /nfs/dbraw/zinc/93/04/46/518930446.db2.gz HCIHRRHFRRIKPK-SFTDATJTSA-N 1 1 366.480 4.042 50 30 FIEAMO C=CCc1cc(OC)ccc1OCC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000008737975 519131839 /nfs/dbraw/zinc/13/18/39/519131839.db2.gz CPDRDUXZXMJPET-OAQYLSRUSA-N 1 1 352.478 4.425 50 30 biogenic FIEAMO C=CCc1cc(C[NH2+]Cc2cn3c(C)c(C)sc3n2)ccc1OCC ZINC000055414049 519132441 /nfs/dbraw/zinc/13/24/41/519132441.db2.gz UXSANZNBJMNIKF-UHFFFAOYSA-N 1 1 355.507 4.430 50 30 FIEAMO CC[N+](C)(CC)CCC/C(=N\O)C(O)(c1ccccc1)c1ccccc1 ZINC000100251254 523632450 /nfs/dbraw/zinc/63/24/50/523632450.db2.gz JDCWTWUPZWPUDT-XTQSDGFTSA-O 1 1 355.502 4.019 50 30 FIEAMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1[C@H]1CCCO1 ZINC000329823166 570625718 /nfs/dbraw/zinc/62/57/18/570625718.db2.gz HOJPIICYBNDBEJ-AEFFLSMTSA-N 1 1 361.873 4.079 50 30 FIEAMO N#Cc1c(N)nc2c(c1-c1ccc(Cl)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000018241846 570815554 /nfs/dbraw/zinc/81/55/54/570815554.db2.gz MOLSSGZGPBBPMU-UHFFFAOYSA-N 1 1 374.875 4.414 50 30 FIEAMO C=CC[N@H+](Cc1cccc(OC)c1)Cc1cccc(Oc2ncccn2)c1 ZINC000055212156 571058154 /nfs/dbraw/zinc/05/81/54/571058154.db2.gz NWBDNOPDUBTKCT-UHFFFAOYSA-N 1 1 361.445 4.466 50 30 FIEAMO CC[N@H+](CC(=O)N(CCC#N)c1ccc(C)cc1)[C@H](C)c1cccc(O)c1 ZINC000072308232 571066152 /nfs/dbraw/zinc/06/61/52/571066152.db2.gz SEPOTTSYJRMJQJ-GOSISDBHSA-N 1 1 365.477 4.030 50 30 FIEAMO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(C)cc1)[C@H](C)c1cccc(O)c1 ZINC000072308232 571066155 /nfs/dbraw/zinc/06/61/55/571066155.db2.gz SEPOTTSYJRMJQJ-GOSISDBHSA-N 1 1 365.477 4.030 50 30 FIEAMO C[NH+](C)[C@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccc(F)cc1F ZINC000238901114 571262812 /nfs/dbraw/zinc/26/28/12/571262812.db2.gz LAPSQFBVJHRYHZ-GOSISDBHSA-N 1 1 368.387 4.206 50 30 FIEAMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nccn3Cc3ccccc3)C2)cc1 ZINC000082099332 571322731 /nfs/dbraw/zinc/32/27/31/571322731.db2.gz MPUPHSVCJNFWHL-QFIPXVFZSA-N 1 1 356.473 4.183 50 30 FIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCc5ccccc5C4)[C@H]3C[C@H]12 ZINC000004085590 571354939 /nfs/dbraw/zinc/35/49/39/571354939.db2.gz NGDNTENCUITPCQ-DXHZJSNDSA-N 1 1 365.517 4.359 50 30 biogenic FIEAMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1cccs1 ZINC000008156968 571359616 /nfs/dbraw/zinc/35/96/16/571359616.db2.gz MSXHFCIONCDWKR-ZDUSSCGKSA-N 1 1 373.547 4.409 50 30 FIEAMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1cccs1 ZINC000008156968 571359617 /nfs/dbraw/zinc/35/96/17/571359617.db2.gz MSXHFCIONCDWKR-ZDUSSCGKSA-N 1 1 373.547 4.409 50 30 FIEAMO CCOc1cc2ccccc2cc1C(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000014074965 1090226537 /nfs/dbraw/zinc/22/65/37/1090226537.db2.gz HUEUAOIKBOMCKX-UHFFFAOYSA-N 1 1 368.820 4.369 50 30 FIEAMO N#Cc1ccc(C[N@H+]2CCCCCCNC(=O)C[C@@H]2c2ccccc2)cc1 ZINC000257196762 1090337209 /nfs/dbraw/zinc/33/72/09/1090337209.db2.gz YVKMIERGTJOHNR-JOCHJYFZSA-N 1 1 361.489 4.182 50 30 FIEAMO C=CCOc1ccccc1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000012920957 220043292 /nfs/dbraw/zinc/04/32/92/220043292.db2.gz GLCRLLKRJIFXPJ-UHFFFAOYSA-N 1 1 371.506 4.336 50 30 FIEAMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCc2ccccc21 ZINC000008073153 207218836 /nfs/dbraw/zinc/21/88/36/207218836.db2.gz LNIGHXQXUCXSRG-LJQANCHMSA-N 1 1 353.853 4.160 50 30 FIEAMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000095446366 209051405 /nfs/dbraw/zinc/05/14/05/209051405.db2.gz HUKPKCBTJLEJGY-UHFFFAOYSA-N 1 1 359.499 4.024 50 30 FIEAMO N#Cc1cccc(N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C2CC2)C3)n1 ZINC000095386472 132210080 /nfs/dbraw/zinc/21/00/80/132210080.db2.gz SDFHUEYSGBIVJD-FQEVSTJZSA-N 1 1 372.516 4.192 50 30 FIEAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(c3ncccc3C#N)CC2)C1 ZINC000096150407 132220637 /nfs/dbraw/zinc/22/06/37/132220637.db2.gz XPDUWLRSZUOANC-OAQYLSRUSA-N 1 1 360.505 4.049 50 30 FIEAMO C=CC[NH+]1CCN(c2nc(CCCC)nc3sc4c(c32)CCCC4)CC1 ZINC000035892760 132374437 /nfs/dbraw/zinc/37/44/37/132374437.db2.gz YNSGGEZHTMWRTH-UHFFFAOYSA-N 1 1 370.566 4.221 50 30 FIEAMO OCC#Cc1csc(C[N@H+]2CC[C@@H](c3ccnc(-c4ccccc4)c3)C2)c1 ZINC000065532443 527520921 /nfs/dbraw/zinc/52/09/21/527520921.db2.gz LUVIDDSYDRGNSM-OAQYLSRUSA-N 1 1 374.509 4.143 50 30 FIEAMO C=CCOc1ccccc1CN1CC[N@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000584904389 570664085 /nfs/dbraw/zinc/66/40/85/570664085.db2.gz AXUQLSJSDPQESN-GMAHTHKFSA-N 1 1 354.538 4.480 50 30 FIEAMO N#Cc1c(Cl)nc(N2CCCCC2)c2c1CC[N@H+](C1CCCCC1)C2 ZINC000013739092 570788449 /nfs/dbraw/zinc/78/84/49/570788449.db2.gz YQTCSTONLHLTJD-UHFFFAOYSA-N 1 1 358.917 4.288 50 30 FIEAMO N#Cc1c(Cl)nc(N2CCCCC2)c2c1CC[N@@H+](C1CCCCC1)C2 ZINC000013739092 570788458 /nfs/dbraw/zinc/78/84/58/570788458.db2.gz YQTCSTONLHLTJD-UHFFFAOYSA-N 1 1 358.917 4.288 50 30 FIEAMO C(=N/N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)\c1cccs1 ZINC000022553995 570947013 /nfs/dbraw/zinc/94/70/13/570947013.db2.gz YUZJKYFZDZVAHH-PTGBLXJZSA-N 1 1 361.514 4.489 50 30 FIEAMO Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc2c(C)cccc12 ZINC000007779152 571288627 /nfs/dbraw/zinc/28/86/27/571288627.db2.gz HVBLVUDAXAAETR-UHFFFAOYSA-N 1 1 356.473 4.046 50 30 FIEAMO N#Cc1cccc(C[NH+]2CCN(c3nc(-c4ccccc4)cs3)CC2)c1 ZINC000065405396 571321133 /nfs/dbraw/zinc/32/11/33/571321133.db2.gz KQSHKLSDAHUCAU-UHFFFAOYSA-N 1 1 360.486 4.004 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(N=Cc3c(O)ccc4ccccc43)CC2)cc1 ZINC000254851693 1114486255 /nfs/dbraw/zinc/48/62/55/1114486255.db2.gz NUQJUDXIJOFSQB-UHFFFAOYSA-N 1 1 359.473 4.006 50 30 FIEAMO C=C(C)CNC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013634435 220080705 /nfs/dbraw/zinc/08/07/05/220080705.db2.gz QLBXNHXWMVSJHG-UHFFFAOYSA-N 1 1 365.546 4.256 50 30 FIEAMO CCN1CCCc2cc(/C=[NH+]/NC(=S)Nc3cccc(C)c3C)ccc21 ZINC000003036774 132384623 /nfs/dbraw/zinc/38/46/23/132384623.db2.gz BZAJPXJJMDNDOK-HYARGMPZSA-N 1 1 366.534 4.396 50 30 FIEAMO [NH2+]=C(NOC(=O)c1ccccc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000005013630 263337962 /nfs/dbraw/zinc/33/79/62/263337962.db2.gz YETNLZLNPMUCND-UHFFFAOYSA-N 1 1 350.805 4.484 50 30 FIEAMO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000008037665 519031531 /nfs/dbraw/zinc/03/15/31/519031531.db2.gz OMOPOUCEUOHRDG-UHFFFAOYSA-N 1 1 362.832 4.114 50 30 FIEAMO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000008037665 519031534 /nfs/dbraw/zinc/03/15/34/519031534.db2.gz OMOPOUCEUOHRDG-UHFFFAOYSA-N 1 1 362.832 4.114 50 30 FIEAMO CC(C)(Oc1ccc(Cl)cc1)C(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004906873 519378467 /nfs/dbraw/zinc/37/84/67/519378467.db2.gz UKWGDMWXHJZTRE-UHFFFAOYSA-N 1 1 367.232 4.015 50 30 FIEAMO CCN(CC)c1ccc(C=[NH+]c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000254836332 520890338 /nfs/dbraw/zinc/89/03/38/520890338.db2.gz FFSZRVIRTAZRBG-UHFFFAOYSA-N 1 1 362.477 4.081 50 30 FIEAMO COc1ccccc1/C=C/C[N@H+]1CCc2[nH]nc(-c3cccc(C#N)c3)c2C1 ZINC000020539410 524320964 /nfs/dbraw/zinc/32/09/64/524320964.db2.gz GWUKKSUNYUYSFX-WEVVVXLNSA-N 1 1 370.456 4.028 50 30 FIEAMO Cc1ccc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@@H](C)C3)C2=O)cc1C ZINC000226757223 525971304 /nfs/dbraw/zinc/97/13/04/525971304.db2.gz SWIJQIWLIYQYSS-RNKPHZFSSA-N 1 1 361.489 4.460 50 30 FIEAMO Cc1ccc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1C ZINC000226757223 525971311 /nfs/dbraw/zinc/97/13/11/525971311.db2.gz SWIJQIWLIYQYSS-RNKPHZFSSA-N 1 1 361.489 4.460 50 30 FIEAMO CCCCn1cc[nH+]c1[C@@H]1CCCN(c2nc(C(C)C)ccc2C#N)C1 ZINC000095383942 535153274 /nfs/dbraw/zinc/15/32/74/535153274.db2.gz JBJYSVXAVXAEHV-GOSISDBHSA-N 1 1 351.498 4.457 50 30 FIEAMO N#Cc1c(N)nc2c(c1-c1ccccc1Cl)C[N@H+](Cc1ccccc1)CC2 ZINC000018241848 570815606 /nfs/dbraw/zinc/81/56/06/570815606.db2.gz YXRUDWGXVDGJNN-UHFFFAOYSA-N 1 1 374.875 4.414 50 30 FIEAMO N#Cc1c(N)nc2c(c1-c1ccccc1Cl)C[N@@H+](Cc1ccccc1)CC2 ZINC000018241848 570815608 /nfs/dbraw/zinc/81/56/08/570815608.db2.gz YXRUDWGXVDGJNN-UHFFFAOYSA-N 1 1 374.875 4.414 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3c(Cl)cccc3Cl)CC2)cc1 ZINC000019833192 570904432 /nfs/dbraw/zinc/90/44/32/570904432.db2.gz WNUUOILIPQVPOU-LPYMAVHISA-N 1 1 362.304 4.454 50 30 FIEAMO C=CCN(Cc1ccccc1Cl)C(=O)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000055358890 571058606 /nfs/dbraw/zinc/05/86/06/571058606.db2.gz AUYOBUPIMWIWCU-HXUWFJFHSA-N 1 1 369.896 4.087 50 30 FIEAMO OCC#Cc1ccc(C[N@H+]2CC[C@@H](c3ccnc(-c4ccccc4)c3)C2)s1 ZINC000065374018 571073782 /nfs/dbraw/zinc/07/37/82/571073782.db2.gz SWUFLDQGCWHWEE-HXUWFJFHSA-N 1 1 374.509 4.143 50 30 FIEAMO C=CC[N@@H+]1CC[C@H](Cn2cnc(-c3ccccc3)c2-c2cccc(C)n2)C1 ZINC000065462775 571074169 /nfs/dbraw/zinc/07/41/69/571074169.db2.gz WHYQEJXFQYLXTD-IBGZPJMESA-N 1 1 358.489 4.428 50 30 FIEAMO C=CCn1cc(C[N@H+]2CC[C@H](c3ccnc(-c4cccc(O)c4)c3)C2)c(C)n1 ZINC000065531907 571074191 /nfs/dbraw/zinc/07/41/91/571074191.db2.gz REWLLDSEINSLBG-FQEVSTJZSA-N 1 1 374.488 4.135 50 30 FIEAMO Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1F ZINC000052212751 571141481 /nfs/dbraw/zinc/14/14/81/571141481.db2.gz CLJPYXKCWHEBJW-FQEVSTJZSA-N 1 1 365.452 4.218 50 30 FIEAMO Cc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1F ZINC000052212751 571141482 /nfs/dbraw/zinc/14/14/82/571141482.db2.gz CLJPYXKCWHEBJW-FQEVSTJZSA-N 1 1 365.452 4.218 50 30 FIEAMO CC(=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1ccncc1 ZINC000004183701 571356563 /nfs/dbraw/zinc/35/65/63/571356563.db2.gz PXCQCBOGRVCHKF-UHFFFAOYSA-N 1 1 368.484 4.193 50 30 FIEAMO N#Cc1ccc(C[N@H+]2CCCCCCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000257196763 1090337588 /nfs/dbraw/zinc/33/75/88/1090337588.db2.gz YVKMIERGTJOHNR-QFIPXVFZSA-N 1 1 361.489 4.182 50 30 FIEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CCc2ccccc2)CC1 ZINC000011720391 207320459 /nfs/dbraw/zinc/32/04/59/207320459.db2.gz AFMIGWQCHRHQOB-SFHVURJKSA-N 1 1 361.489 4.230 50 30 FIEAMO N#Cc1ccccc1C[NH+]1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000075149303 208191458 /nfs/dbraw/zinc/19/14/58/208191458.db2.gz XTSIQDYDHBSBAD-UHFFFAOYSA-N 1 1 350.447 4.049 50 30 FIEAMO CCN1CCCc2cc(/C=[NH+]/NC(=S)Nc3ccccc3C)ccc21 ZINC000003036839 132384679 /nfs/dbraw/zinc/38/46/79/132384679.db2.gz POARUPFEWSVPIB-KGENOOAVSA-N 1 1 352.507 4.088 50 30 FIEAMO Oc1ccccc1/C=N/N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019771357 263376287 /nfs/dbraw/zinc/37/62/87/263376287.db2.gz HGXMFCWXOYAMJZ-NCELDCMTSA-N 1 1 371.484 4.133 50 30 FIEAMO C=CCNC(=O)[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669686 518930163 /nfs/dbraw/zinc/93/01/63/518930163.db2.gz DCOHHRQTUBHIPK-PZJWPPBQSA-N 1 1 352.453 4.081 50 30 FIEAMO C=CCn1c(C[N@H+](C)CC2CCCCC2)nnc1SCC(=C)Cl ZINC000014963345 519177665 /nfs/dbraw/zinc/17/76/65/519177665.db2.gz OWFOXTYUIIJYKN-UHFFFAOYSA-N 1 1 354.951 4.321 50 30 FIEAMO C=CCn1c(C[N@@H+](C)CC2CCCCC2)nnc1SCC(=C)Cl ZINC000014963345 519177674 /nfs/dbraw/zinc/17/76/74/519177674.db2.gz OWFOXTYUIIJYKN-UHFFFAOYSA-N 1 1 354.951 4.321 50 30 FIEAMO CCN(CCC#N)c1ccc(CNCC2([NH+](C)C)CCCCC2)c(C)c1 ZINC000038720165 520980354 /nfs/dbraw/zinc/98/03/54/520980354.db2.gz GCEDYSAKWKYKAN-UHFFFAOYSA-N 1 1 356.558 4.089 50 30 FIEAMO CCN(CC)c1ccc(/C=[NH+]/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000018177175 570876083 /nfs/dbraw/zinc/87/60/83/570876083.db2.gz FFSZRVIRTAZRBG-XQNSMLJCSA-N 1 1 362.477 4.081 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3c(O)ccc4ccccc43)CC2)c(C)c1 ZINC000019791059 570902792 /nfs/dbraw/zinc/90/27/92/570902792.db2.gz LMAVKNXALJLVTD-PCLIKHOPSA-N 1 1 373.500 4.314 50 30 FIEAMO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000012731532 571056339 /nfs/dbraw/zinc/05/63/39/571056339.db2.gz IHKUZSTVNKJHNV-UHFFFAOYSA-N 1 1 360.486 4.004 50 30 FIEAMO C=CC[N@@H+]1CC[C@@H](Cn2cnc(-c3ccccc3)c2-c2cccc(C)n2)C1 ZINC000065462772 571074093 /nfs/dbraw/zinc/07/40/93/571074093.db2.gz WHYQEJXFQYLXTD-LJQANCHMSA-N 1 1 358.489 4.428 50 30 FIEAMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000012861519 571130152 /nfs/dbraw/zinc/13/01/52/571130152.db2.gz JEQGAWBUOWBXMC-NRFANRHFSA-N 1 1 370.452 4.497 50 30 FIEAMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000012861507 571130384 /nfs/dbraw/zinc/13/03/84/571130384.db2.gz JEQGAWBUOWBXMC-OAQYLSRUSA-N 1 1 370.452 4.497 50 30 FIEAMO C#CC[N@H+](Cc1nc(-c2cccc(OC)c2OC)oc1C)C1CCCCC1 ZINC000020777406 571141681 /nfs/dbraw/zinc/14/16/81/571141681.db2.gz JHIPOIRKVJCGIN-UHFFFAOYSA-N 1 1 368.477 4.435 50 30 FIEAMO C[NH+](C)[C@@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccc(F)cc1F ZINC000238901115 571262820 /nfs/dbraw/zinc/26/28/20/571262820.db2.gz LAPSQFBVJHRYHZ-SFHVURJKSA-N 1 1 368.387 4.206 50 30 FIEAMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)c1cc(C)ccc1OC ZINC000089612039 571272296 /nfs/dbraw/zinc/27/22/96/571272296.db2.gz GNBTURWHWFDHPQ-INIZCTEOSA-N 1 1 351.899 4.440 50 30 FIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCc5ccccc5C4)[C@H]3C[C@@H]12 ZINC000004085588 571292968 /nfs/dbraw/zinc/29/29/68/571292968.db2.gz NGDNTENCUITPCQ-WKKMNAASSA-N 1 1 365.517 4.359 50 30 biogenic FIEAMO C[N@H+]1CCCC[C@@H]1CCn1ccc(-c2cccc(-c3ncccc3C#N)c2)n1 ZINC000019147406 571323438 /nfs/dbraw/zinc/32/34/38/571323438.db2.gz KCRJOEHJUMRHQN-OAQYLSRUSA-N 1 1 371.488 4.358 50 30 FIEAMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1Cl)n1cccn1 ZINC000328591632 571323570 /nfs/dbraw/zinc/32/35/70/571323570.db2.gz BZVVFSYUOQBDRE-FPXQBCRKSA-N 1 1 374.916 4.201 50 30 FIEAMO CC[C@H](C)NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020097972 571328025 /nfs/dbraw/zinc/32/80/25/571328025.db2.gz LAFUQJYWUTXWFY-SFHVURJKSA-N 1 1 367.562 4.478 50 30 FIEAMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](n3nccc3C(F)(F)F)C2)cc1 ZINC000095995878 571333625 /nfs/dbraw/zinc/33/36/25/571333625.db2.gz SNLPNNDFVCVBLH-MRXNPFEDSA-N 1 1 365.399 4.304 50 30 FIEAMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](n3nccc3C(F)(F)F)C2)cc1 ZINC000095995878 571333626 /nfs/dbraw/zinc/33/36/26/571333626.db2.gz SNLPNNDFVCVBLH-MRXNPFEDSA-N 1 1 365.399 4.304 50 30 FIEAMO C=CC[N@@H+]1CCc2c(Br)c(O)c(O)cc2[C@@H](c2ccccc2)C1 ZINC000002530683 209340347 /nfs/dbraw/zinc/34/03/47/209340347.db2.gz KKZGFVAZUKHFAC-MRXNPFEDSA-N 1 1 374.278 4.036 50 30 FIEAMO COCCC[N@H+](Cc1cccn1Cc1ccccc1)Cc1ccccc1C#N ZINC000096299847 209150313 /nfs/dbraw/zinc/15/03/13/209150313.db2.gz SIQHAGACGJDHNL-UHFFFAOYSA-N 1 1 373.500 4.447 50 30 FIEAMO COCCC[N@@H+](Cc1cccn1Cc1ccccc1)Cc1ccccc1C#N ZINC000096299847 209150317 /nfs/dbraw/zinc/15/03/17/209150317.db2.gz SIQHAGACGJDHNL-UHFFFAOYSA-N 1 1 373.500 4.447 50 30 FIEAMO C=CCNC(=O)[C@@H]1C[C@@H](c2cccc(C)c2)C[N@H+](Cc2ccc(F)cc2)C1 ZINC000034711444 518921310 /nfs/dbraw/zinc/92/13/10/518921310.db2.gz GDVNGPATRRQDMF-NHCUHLMSSA-N 1 1 366.480 4.042 50 30 FIEAMO COC(C)(C)CCC[C@](C)(O)C#C[C@H](C)[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000248273432 522477402 /nfs/dbraw/zinc/47/74/02/522477402.db2.gz RBNPONNUFQLAEM-RRPUWOKSSA-N 1 1 372.553 4.347 50 30 biogenic,in-vitro FIEAMO COC(C)(C)CCC[C@](C)(O)C#C[C@H](C)[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000248273432 522477412 /nfs/dbraw/zinc/47/74/12/522477412.db2.gz RBNPONNUFQLAEM-RRPUWOKSSA-N 1 1 372.553 4.347 50 30 biogenic,in-vitro FIEAMO [NH2+]=C(NOC(=O)c1cccs1)C1(c2ccc(Cl)cc2Cl)CC1 ZINC000013658584 570782557 /nfs/dbraw/zinc/78/25/57/570782557.db2.gz IYPDIBUNKRZFFM-UHFFFAOYSA-N 1 1 355.246 4.216 50 30 FIEAMO CCCCCCCc1c(O)nc(SCC[NH+](CCC)CCC)[nH]c1=O ZINC000097951695 571153181 /nfs/dbraw/zinc/15/31/81/571153181.db2.gz SURBLSXGSQTUAP-UHFFFAOYSA-N 1 1 369.575 4.203 50 30 FIEAMO Cc1c[nH+]cn1C1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC000170619643 571268734 /nfs/dbraw/zinc/26/87/34/571268734.db2.gz VLABUDKCANHLPE-UHFFFAOYSA-N 1 1 351.841 4.106 50 30 FIEAMO N#Cc1ccc(N2CC[NH+](Cc3sc4ccccc4c3Cl)CC2)nc1 ZINC000013002384 571322976 /nfs/dbraw/zinc/32/29/76/571322976.db2.gz GITWWAFXEWYHNK-UHFFFAOYSA-N 1 1 368.893 4.144 50 30 FIEAMO Cc1csc(C(=O)ONC(=[NH2+])c2ccc(C(F)(F)F)cc2)c1Cl ZINC000004324009 207013798 /nfs/dbraw/zinc/01/37/98/207013798.db2.gz KVOFONWCRLJEQE-UHFFFAOYSA-N 1 1 362.760 4.206 50 30 FIEAMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCc2ccccc21 ZINC000007987609 207214954 /nfs/dbraw/zinc/21/49/54/207214954.db2.gz ZEOPKMVIUCUTJJ-SFHVURJKSA-N 1 1 365.502 4.056 50 30 FIEAMO C/C(=N\N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1ccco1 ZINC000012342956 207363690 /nfs/dbraw/zinc/36/36/90/207363690.db2.gz HWSDPZHPCPHGHX-JJIBRWJFSA-N 1 1 357.457 4.391 50 30 FIEAMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000046089340 208359003 /nfs/dbraw/zinc/35/90/03/208359003.db2.gz GTOGZPLPWGECAE-IBGZPJMESA-N 1 1 353.491 4.140 50 30 FIEAMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000046089340 208359010 /nfs/dbraw/zinc/35/90/10/208359010.db2.gz GTOGZPLPWGECAE-IBGZPJMESA-N 1 1 353.491 4.140 50 30 FIEAMO C[C@H]1CCC[N@H+](CN2c3ccccc3/C(=N/c3ccc(Cl)cc3)C2=O)C1 ZINC000016609073 209019184 /nfs/dbraw/zinc/01/91/84/209019184.db2.gz JSUKZRDGPINOTD-DCBSDEPNSA-N 1 1 367.880 4.497 50 30 FIEAMO C[C@H]1CCC[N@@H+](CN2c3ccccc3/C(=N/c3ccc(Cl)cc3)C2=O)C1 ZINC000016609073 209019185 /nfs/dbraw/zinc/01/91/85/209019185.db2.gz JSUKZRDGPINOTD-DCBSDEPNSA-N 1 1 367.880 4.497 50 30 FIEAMO N#Cc1cccc(N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C2CC2)C3)n1 ZINC000095386471 132210222 /nfs/dbraw/zinc/21/02/22/132210222.db2.gz SDFHUEYSGBIVJD-HXUWFJFHSA-N 1 1 372.516 4.192 50 30 FIEAMO N#Cc1cccnc1N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000026708906 136153270 /nfs/dbraw/zinc/15/32/70/136153270.db2.gz BAKODMHIXMRUEU-UHFFFAOYSA-N 1 1 360.486 4.004 50 30 FIEAMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC000015301438 524406828 /nfs/dbraw/zinc/40/68/28/524406828.db2.gz WKBKNNMTUBIVEO-IBGZPJMESA-N 1 1 367.518 4.449 50 30 FIEAMO Cc1ccc(C(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2Cl)cc1C ZINC000004689646 526236360 /nfs/dbraw/zinc/23/63/60/526236360.db2.gz KTCLBYTUVIVPLA-UHFFFAOYSA-N 1 1 351.233 4.282 50 30 FIEAMO C=CCOc1ccccc1CN1CC[N@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000584904390 570664265 /nfs/dbraw/zinc/66/42/65/570664265.db2.gz AXUQLSJSDPQESN-JTHBVZDNSA-N 1 1 354.538 4.480 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3c(O)ccc4ccccc43)CC2)cc1 ZINC000019833187 570904497 /nfs/dbraw/zinc/90/44/97/570904497.db2.gz NUQJUDXIJOFSQB-LFVJCYFKSA-N 1 1 359.473 4.006 50 30 FIEAMO C=CC[C@@]1(CO)CCC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000091848923 571063487 /nfs/dbraw/zinc/06/34/87/571063487.db2.gz KAABAIGBYXJGCS-HSZRJFAPSA-N 1 1 351.490 4.416 50 30 FIEAMO CCCN(CC)c1ccc(/C=[NH+]\NC(=S)Nc2cccc(OC)c2)cc1 ZINC000033096957 571155505 /nfs/dbraw/zinc/15/55/05/571155505.db2.gz MHUZKZSAAREEFO-QNGOZBTKSA-N 1 1 370.522 4.252 50 30 FIEAMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000015300757 571190936 /nfs/dbraw/zinc/19/09/36/571190936.db2.gz AHYMSZHOJYWPLY-UHFFFAOYSA-N 1 1 361.367 4.038 50 30 FIEAMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000015300757 571190937 /nfs/dbraw/zinc/19/09/37/571190937.db2.gz AHYMSZHOJYWPLY-UHFFFAOYSA-N 1 1 361.367 4.038 50 30 FIEAMO C=C(C)C(O)(C(=C)C)c1ccc(C[N@@H+](CCOC)Cc2ccccc2)o1 ZINC000036157273 571243805 /nfs/dbraw/zinc/24/38/05/571243805.db2.gz QQOOGQXZUYZLOA-UHFFFAOYSA-N 1 1 355.478 4.268 50 30 FIEAMO C=C(C)C(O)(C(=C)C)c1ccc(C[N@H+](CCOC)Cc2ccccc2)o1 ZINC000036157273 571243807 /nfs/dbraw/zinc/24/38/07/571243807.db2.gz QQOOGQXZUYZLOA-UHFFFAOYSA-N 1 1 355.478 4.268 50 30 FIEAMO N#CCCOC1(C#CC[N@@H+]2CCCC[C@@H]2c2cccnc2)CCCCC1 ZINC000057547143 571344491 /nfs/dbraw/zinc/34/44/91/571344491.db2.gz LVBPXZOJHUJMGA-OAQYLSRUSA-N 1 1 351.494 4.245 50 30 biogenic FIEAMO N#CCCOC1(C#CC[N@H+]2CCCC[C@@H]2c2cccnc2)CCCCC1 ZINC000057547143 571344492 /nfs/dbraw/zinc/34/44/92/571344492.db2.gz LVBPXZOJHUJMGA-OAQYLSRUSA-N 1 1 351.494 4.245 50 30 biogenic FIEAMO C=CC[N@H+](Cc1cccs1)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000057763542 571345235 /nfs/dbraw/zinc/34/52/35/571345235.db2.gz NNQZTHIEPDPTFW-UHFFFAOYSA-N 1 1 355.459 4.311 50 30 FIEAMO C=CC[N@@H+](Cc1cccs1)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000057763542 571345236 /nfs/dbraw/zinc/34/52/36/571345236.db2.gz NNQZTHIEPDPTFW-UHFFFAOYSA-N 1 1 355.459 4.311 50 30 FIEAMO N#Cc1ccccc1N1CCC[N@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC000058380807 571350997 /nfs/dbraw/zinc/35/09/97/571350997.db2.gz FSKNXKGYVBTCIG-UHFFFAOYSA-N 1 1 359.395 4.289 50 30 FIEAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(C#N)cc1)[NH2+]C2 ZINC000020528585 211285707 /nfs/dbraw/zinc/28/57/07/211285707.db2.gz OPHMJADRAWNKTP-HSZRJFAPSA-N 1 1 373.456 4.339 50 30 FIEAMO N#Cc1cccc(-c2n[nH]c3c2C[N@@H+](Cc2cc4ccccc4o2)CC3)c1 ZINC000019642260 211243772 /nfs/dbraw/zinc/24/37/72/211243772.db2.gz FFQUOLZMQMHHJD-UHFFFAOYSA-N 1 1 354.413 4.253 50 30 FIEAMO C[N@H+]1CCCC[C@H]1CCn1ccc(-c2cccc(-c3ncccc3C#N)c2)n1 ZINC000019147409 211203392 /nfs/dbraw/zinc/20/33/92/211203392.db2.gz KCRJOEHJUMRHQN-NRFANRHFSA-N 1 1 371.488 4.358 50 30 FIEAMO C=CC[NH+]1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCCC4)CC1 ZINC000035892949 132374454 /nfs/dbraw/zinc/37/44/54/132374454.db2.gz FLFDGVFFSOYTAT-UHFFFAOYSA-N 1 1 368.550 4.146 50 30 FIEAMO C/[NH+]=C(\SC)N(CC/C(=N\O)c1ccccc1)c1ccc(OC)cc1 ZINC000096027852 518570898 /nfs/dbraw/zinc/57/08/98/518570898.db2.gz MFTSZDVQISRSSI-UCUGKLSDSA-N 1 1 357.479 4.119 50 30 FIEAMO C=CCC1(CC=C)CCCC[N@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000012592949 518691050 /nfs/dbraw/zinc/69/10/50/518691050.db2.gz FBGHXQBNFIJKRF-UHFFFAOYSA-N 1 1 367.449 4.342 50 30 FIEAMO C=CCc1ccccc1OCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020482287 519143668 /nfs/dbraw/zinc/14/36/68/519143668.db2.gz QAFYKDLFGHLJCW-UHFFFAOYSA-N 1 1 350.506 4.002 50 30 FIEAMO CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000248240132 570603459 /nfs/dbraw/zinc/60/34/59/570603459.db2.gz GRHPYHKBBVQXFQ-JKSUJKDBSA-N 1 1 369.896 4.472 50 30 FIEAMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000046089339 570926352 /nfs/dbraw/zinc/92/63/52/570926352.db2.gz GTOGZPLPWGECAE-LJQANCHMSA-N 1 1 353.491 4.140 50 30 FIEAMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000046089339 570926355 /nfs/dbraw/zinc/92/63/55/570926355.db2.gz GTOGZPLPWGECAE-LJQANCHMSA-N 1 1 353.491 4.140 50 30 FIEAMO CCC[N@H+](CC#Cc1ccccc1)Cc1cccnc1NC(=O)C(C)(C)C ZINC000055327113 210068161 /nfs/dbraw/zinc/06/81/61/210068161.db2.gz JSHNXGLCWHYNPG-UHFFFAOYSA-N 1 1 363.505 4.330 50 30 FIEAMO CCC[N@@H+](CC#Cc1ccccc1)Cc1cccnc1NC(=O)C(C)(C)C ZINC000055327113 210068164 /nfs/dbraw/zinc/06/81/64/210068164.db2.gz JSHNXGLCWHYNPG-UHFFFAOYSA-N 1 1 363.505 4.330 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3c(F)cccc3Cl)CC2)c(C)c1 ZINC000020171862 211269924 /nfs/dbraw/zinc/26/99/24/211269924.db2.gz ZQAOHMXJMTUKLV-YDZHTSKRSA-N 1 1 359.876 4.248 50 30 FIEAMO N#CCCOC1(C#CC[N@@H+]2CCCC[C@H]2c2cccnc2)CCCCC1 ZINC000055231603 221063387 /nfs/dbraw/zinc/06/33/87/221063387.db2.gz LVBPXZOJHUJMGA-NRFANRHFSA-N 1 1 351.494 4.245 50 30 biogenic FIEAMO N#CCCOC1(C#CC[N@H+]2CCCC[C@H]2c2cccnc2)CCCCC1 ZINC000055231603 221063388 /nfs/dbraw/zinc/06/33/88/221063388.db2.gz LVBPXZOJHUJMGA-NRFANRHFSA-N 1 1 351.494 4.245 50 30 biogenic FIEAMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CCCCC#N)CC2 ZINC000058338799 221114537 /nfs/dbraw/zinc/11/45/37/221114537.db2.gz MSJRFAASCSAWJJ-FQEVSTJZSA-N 1 1 356.491 4.407 50 30 FIEAMO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000005065371 263338741 /nfs/dbraw/zinc/33/87/41/263338741.db2.gz VTRCROFOHZWFOT-CYBMUJFWSA-N 1 1 374.868 4.269 50 30 FIEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1OC ZINC000036103782 518726155 /nfs/dbraw/zinc/72/61/55/518726155.db2.gz WMZXGZFZQMPHCG-FQEVSTJZSA-N 1 1 373.468 4.172 50 30 FIEAMO C=CC[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(Cl)s1 ZINC000032739723 518773996 /nfs/dbraw/zinc/77/39/96/518773996.db2.gz CWCQCBHIJUPITO-UHFFFAOYSA-N 1 1 365.911 4.351 50 30 FIEAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COc1ccc(/N=C/c2ccccc2)cc1 ZINC000016514048 524364003 /nfs/dbraw/zinc/36/40/03/524364003.db2.gz DCAKOVFISXHORD-OXKUCOAQSA-N 1 1 366.505 4.440 50 30 FIEAMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)c1C ZINC000069701417 524524062 /nfs/dbraw/zinc/52/40/62/524524062.db2.gz LDGNGQACZQBIMW-NRFANRHFSA-N 1 1 361.489 4.040 50 30 FIEAMO CCCCn1cc[nH+]c1[C@H]1CCCN(c2nc(C(C)C)ccc2C#N)C1 ZINC000095383943 535153669 /nfs/dbraw/zinc/15/36/69/535153669.db2.gz JBJYSVXAVXAEHV-SFHVURJKSA-N 1 1 351.498 4.457 50 30 FIEAMO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000022918426 570702761 /nfs/dbraw/zinc/70/27/61/570702761.db2.gz FTHHBFQPQKVMQL-UHFFFAOYSA-N 1 1 360.288 4.183 50 30 FIEAMO CC(C)[NH+]=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cccs1 ZINC000071843643 571126710 /nfs/dbraw/zinc/12/67/10/571126710.db2.gz MGMGJUPYJXHXQW-UHFFFAOYSA-N 1 1 355.507 4.432 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(/N=C\C(Cl)=C\c3ccccc3)CC2)cc1 ZINC000033089327 571155151 /nfs/dbraw/zinc/15/51/51/571155151.db2.gz PNSAUKMYIUBZGE-DCUOGXPFSA-N 1 1 353.897 4.378 50 30 FIEAMO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000012569489 571184667 /nfs/dbraw/zinc/18/46/67/571184667.db2.gz OPQVSNMRRDLLPZ-BETUJISGSA-N 1 1 374.466 4.284 50 30 FIEAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000012569489 571184670 /nfs/dbraw/zinc/18/46/70/571184670.db2.gz OPQVSNMRRDLLPZ-BETUJISGSA-N 1 1 374.466 4.284 50 30 FIEAMO Cc1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000006510843 571206320 /nfs/dbraw/zinc/20/63/20/571206320.db2.gz RZGPXJPZEZEREC-UHFFFAOYSA-N 1 1 371.506 4.251 50 30 FIEAMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCCC[C@@H]2CCn2ccnc2)o1 ZINC000077423010 571320980 /nfs/dbraw/zinc/32/09/80/571320980.db2.gz LZGKUYFDGLFOQE-LJQANCHMSA-N 1 1 360.461 4.460 50 30 FIEAMO CC[C@H](C)[N@@H+](CC#Cc1ccccc1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055061224 210069077 /nfs/dbraw/zinc/06/90/77/210069077.db2.gz DPOSONREJBDFPL-KRWDZBQOSA-N 1 1 362.448 4.319 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cccc(Cl)c3Cl)CC2)cc1 ZINC000020190746 211271147 /nfs/dbraw/zinc/27/11/47/211271147.db2.gz GTBSGUCDHQARNC-LPYMAVHISA-N 1 1 362.304 4.454 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000020191415 211269808 /nfs/dbraw/zinc/26/98/08/211269808.db2.gz WNDIXGVPUOWMQF-LPYMAVHISA-N 1 1 362.304 4.454 50 30 FIEAMO C=CCNC(=O)[C@@H]1C[C@H](c2cccc(C)c2)C[N@H+](Cc2ccc(F)cc2)C1 ZINC000034711445 518921141 /nfs/dbraw/zinc/92/11/41/518921141.db2.gz GDVNGPATRRQDMF-LEWJYISDSA-N 1 1 366.480 4.042 50 30 FIEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000036103984 518987705 /nfs/dbraw/zinc/98/77/05/518987705.db2.gz DDQLMADNNFJOLS-QFIPXVFZSA-N 1 1 357.469 4.008 50 30 FIEAMO CCCN1CCCc2cc(/C=[NH+]/NC(=S)Nc3ccc(C)cc3)ccc21 ZINC000003050730 534914298 /nfs/dbraw/zinc/91/42/98/534914298.db2.gz COMDIKXQSWPDOP-PXLXIMEGSA-N 1 1 366.534 4.478 50 30 FIEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000048289360 526449068 /nfs/dbraw/zinc/44/90/68/526449068.db2.gz UOQQFTSWTMWOLC-FQEVSTJZSA-N 1 1 367.880 4.424 50 30 FIEAMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000048289360 526449080 /nfs/dbraw/zinc/44/90/80/526449080.db2.gz UOQQFTSWTMWOLC-FQEVSTJZSA-N 1 1 367.880 4.424 50 30 FIEAMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)cc1C ZINC000048309246 570943141 /nfs/dbraw/zinc/94/31/41/570943141.db2.gz CFVGIFAZOANBOI-FQEVSTJZSA-N 1 1 367.518 4.449 50 30 FIEAMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2ccsc2)cc1C ZINC000048309246 570943145 /nfs/dbraw/zinc/94/31/45/570943145.db2.gz CFVGIFAZOANBOI-FQEVSTJZSA-N 1 1 367.518 4.449 50 30 FIEAMO CCn1cc(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)cc1C#N ZINC000072409583 571319132 /nfs/dbraw/zinc/31/91/32/571319132.db2.gz AQVHJCIBTHUSEK-RJGXRXQPSA-N 1 1 363.505 4.032 50 30 FIEAMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C2CC2)cc1 ZINC000095409433 571329392 /nfs/dbraw/zinc/32/93/92/571329392.db2.gz CMFGDMCLECPTHC-UHFFFAOYSA-N 1 1 358.388 4.333 50 30 FIEAMO C=CCOc1ccccc1CN1CC[N@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000043164418 1102647195 /nfs/dbraw/zinc/64/71/95/1102647195.db2.gz AXUQLSJSDPQESN-GGAORHGYSA-N 1 1 354.538 4.480 50 30 FIEAMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072304987 521727771 /nfs/dbraw/zinc/72/77/71/521727771.db2.gz GGGTXVAZGFXVAT-AZUAARDMSA-N 1 1 373.566 4.156 50 30 FIEAMO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C(F)(F)F)cc1 ZINC000040161844 522406698 /nfs/dbraw/zinc/40/66/98/522406698.db2.gz GJPPGKXWKUDACK-UHFFFAOYSA-N 1 1 353.388 4.320 50 30 FIEAMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C(F)(F)F)cc1 ZINC000040161844 522406709 /nfs/dbraw/zinc/40/67/09/522406709.db2.gz GJPPGKXWKUDACK-UHFFFAOYSA-N 1 1 353.388 4.320 50 30 FIEAMO COC(C)(C)CCC[C@](C)(O)C#C[C@@H](C)[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000248273428 522475671 /nfs/dbraw/zinc/47/56/71/522475671.db2.gz RBNPONNUFQLAEM-NWSQWKLXSA-N 1 1 372.553 4.347 50 30 biogenic,in-vitro FIEAMO COC(C)(C)CCC[C@](C)(O)C#C[C@@H](C)[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000248273428 522475679 /nfs/dbraw/zinc/47/56/79/522475679.db2.gz RBNPONNUFQLAEM-NWSQWKLXSA-N 1 1 372.553 4.347 50 30 biogenic,in-vitro FIEAMO COC(C)(C)CCC[C@](C)(O)C#C[C@H](C)[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055142314 522476284 /nfs/dbraw/zinc/47/62/84/522476284.db2.gz RBNPONNUFQLAEM-WPYKKVEZSA-N 1 1 372.553 4.347 50 30 biogenic,in-vitro FIEAMO COC(C)(C)CCC[C@](C)(O)C#C[C@H](C)[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055142314 522476292 /nfs/dbraw/zinc/47/62/92/522476292.db2.gz RBNPONNUFQLAEM-WPYKKVEZSA-N 1 1 372.553 4.347 50 30 biogenic,in-vitro FIEAMO OCC#Cc1csc(C[N@H+]2CC[C@H](c3ccnc(-c4ccccc4)c3)C2)c1 ZINC000065532448 527521608 /nfs/dbraw/zinc/52/16/08/527521608.db2.gz LUVIDDSYDRGNSM-NRFANRHFSA-N 1 1 374.509 4.143 50 30 FIEAMO C=CC[N@H+]1C[C@H](C(=O)Nc2ccc(OC)cc2)CC[C@@H]1c1ccccc1 ZINC000037545932 571287722 /nfs/dbraw/zinc/28/77/22/571287722.db2.gz VDNPYHSIJHSIRO-WIYYLYMNSA-N 1 1 350.462 4.273 50 30 FIEAMO Cc1cccc(/C=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000031291823 571351930 /nfs/dbraw/zinc/35/19/30/571351930.db2.gz UZDGLRYWBSKLQY-NCELDCMTSA-N 1 1 370.500 4.131 50 30 in-man FIEAMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1cc(C)ccc1OC ZINC000089612038 210235257 /nfs/dbraw/zinc/23/52/57/210235257.db2.gz GNBTURWHWFDHPQ-MRXNPFEDSA-N 1 1 351.899 4.440 50 30 FIEAMO Cc1cc(C)cc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@H](C)C3)C2=O)c1 ZINC000004619972 210079290 /nfs/dbraw/zinc/07/92/90/210079290.db2.gz DJRBOYMEIRDDGQ-DYYXWGBJSA-N 1 1 361.489 4.460 50 30 FIEAMO Cc1cc(C)cc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@H](C)C3)C2=O)c1 ZINC000004619972 210079294 /nfs/dbraw/zinc/07/92/94/210079294.db2.gz DJRBOYMEIRDDGQ-DYYXWGBJSA-N 1 1 361.489 4.460 50 30 FIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CCc5ccccc5C4)[C@H]3C[C@H]12 ZINC000012884666 220038540 /nfs/dbraw/zinc/03/85/40/220038540.db2.gz NGDNTENCUITPCQ-AQKHVRLOSA-N 1 1 365.517 4.359 50 30 biogenic FIEAMO Cc1[nH+]ccn1-c1ccc(CNc2cc(C#N)cc([N+](=O)[O-])c2C)cc1F ZINC000058365614 212005997 /nfs/dbraw/zinc/00/59/97/212005997.db2.gz UIKBZBHGGZUSTC-UHFFFAOYSA-N 1 1 365.368 4.020 50 30 FIEAMO CCN1CCCc2cc(/C=[NH+]/NC(=S)Nc3ccc(C)cc3C)ccc21 ZINC000003036813 132384685 /nfs/dbraw/zinc/38/46/85/132384685.db2.gz FSGVAHIQLLLAGN-HYARGMPZSA-N 1 1 366.534 4.396 50 30 FIEAMO CCCCCCC[C@@](O)(CC[NH+]1CCOCC1)c1ccc(OCC)cc1 ZINC000098048920 222222979 /nfs/dbraw/zinc/22/29/79/222222979.db2.gz WKQFJGMSPZXHLH-JOCHJYFZSA-N 1 1 363.542 4.356 50 30 FIEAMO C=CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(-c3ccc(NC)cc3)c2)C[C@H]1C ZINC000299795984 518870275 /nfs/dbraw/zinc/87/02/75/518870275.db2.gz NHZFVJBUPTYOOS-QZTJIDSGSA-N 1 1 363.505 4.116 50 30 FIEAMO C=CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(-c3ccc(NC)cc3)c2)C[C@H]1C ZINC000299795984 518870285 /nfs/dbraw/zinc/87/02/85/518870285.db2.gz NHZFVJBUPTYOOS-QZTJIDSGSA-N 1 1 363.505 4.116 50 30 FIEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036099015 518989057 /nfs/dbraw/zinc/98/90/57/518989057.db2.gz MYHQKTCRIKRDMX-QFIPXVFZSA-N 1 1 357.469 4.008 50 30 FIEAMO C=CCOc1ccccc1C[N@H+](CC)Cc1cnc(-c2ccccn2)nc1 ZINC000055383528 519068070 /nfs/dbraw/zinc/06/80/70/519068070.db2.gz AAXPZZKRLLXJTN-UHFFFAOYSA-N 1 1 360.461 4.126 50 30 FIEAMO C=CCOc1ccccc1C[N@@H+](CC)Cc1cnc(-c2ccccn2)nc1 ZINC000055383528 519068078 /nfs/dbraw/zinc/06/80/78/519068078.db2.gz AAXPZZKRLLXJTN-UHFFFAOYSA-N 1 1 360.461 4.126 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(N=Cc3c(O)ccc4ccccc43)CC2)c(C)c1 ZINC000244716272 524462298 /nfs/dbraw/zinc/46/22/98/524462298.db2.gz LMAVKNXALJLVTD-UHFFFAOYSA-N 1 1 373.500 4.314 50 30 FIEAMO CC[N+](C)(CC)CCC/C(=N/O)C(O)(c1ccccc1)c1ccccc1 ZINC000012660295 571043448 /nfs/dbraw/zinc/04/34/48/571043448.db2.gz JDCWTWUPZWPUDT-LNVKXUELSA-O 1 1 355.502 4.019 50 30 FIEAMO CCc1nc(C#N)c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000026779529 571198082 /nfs/dbraw/zinc/19/80/82/571198082.db2.gz LSPSAWLIEKWMIP-UHFFFAOYSA-N 1 1 372.472 4.020 50 30 FIEAMO CCC[NH+](CCC)CN1c2ccccc2C(=Nc2cccc(F)c2)C1=O ZINC000252625055 571288863 /nfs/dbraw/zinc/28/88/63/571288863.db2.gz QBVPMVKYPOSTQD-UHFFFAOYSA-N 1 1 353.441 4.373 50 30 FIEAMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCCC[C@H]2CCn2ccnc2)o1 ZINC000077423018 571320976 /nfs/dbraw/zinc/32/09/76/571320976.db2.gz LZGKUYFDGLFOQE-IBGZPJMESA-N 1 1 360.461 4.460 50 30 FIEAMO C=CCOc1c(Cl)cc(C[N@H+](C)[C@H](C)c2ccncn2)cc1OCC ZINC000055269867 210067625 /nfs/dbraw/zinc/06/76/25/210067625.db2.gz AHOKAVXRQPVZBQ-CQSZACIVSA-N 1 1 361.873 4.287 50 30 FIEAMO C=CCOc1c(Cl)cc(C[N@@H+](C)[C@H](C)c2ccncn2)cc1OCC ZINC000055269867 210067632 /nfs/dbraw/zinc/06/76/32/210067632.db2.gz AHOKAVXRQPVZBQ-CQSZACIVSA-N 1 1 361.873 4.287 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(/N=C/C(Cl)=C\c3ccccc3)CC2)cc1 ZINC000020190853 524453626 /nfs/dbraw/zinc/45/36/26/524453626.db2.gz PNSAUKMYIUBZGE-OIYSJFPPSA-N 1 1 353.897 4.378 50 30 FIEAMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000029122441 571037019 /nfs/dbraw/zinc/03/70/19/571037019.db2.gz SRTTXSADWWZBNN-GOSISDBHSA-N 1 1 353.491 4.140 50 30 FIEAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2C#N)c2ccccc2)cc1C ZINC000025049063 571123294 /nfs/dbraw/zinc/12/32/94/571123294.db2.gz DZTZODNLMOQJDJ-XMMPIXPASA-N 1 1 369.468 4.493 50 30 FIEAMO CCCN(CC)c1ccc(/C=[NH+]\NC(=S)Nc2ccc(OC)cc2)cc1 ZINC000033096946 571155224 /nfs/dbraw/zinc/15/52/24/571155224.db2.gz HRYFRRAMQMAPBH-QNGOZBTKSA-N 1 1 370.522 4.252 50 30 FIEAMO C=CC[N@H+]1C[C@H](C(=O)Nc2ccc(OC)cc2)CC[C@H]1c1ccccc1 ZINC000037545934 571287752 /nfs/dbraw/zinc/28/77/52/571287752.db2.gz VDNPYHSIJHSIRO-NQIIRXRSSA-N 1 1 350.462 4.273 50 30 FIEAMO CC[N+](C)(CC)CCCC(=NO)C(O)(c1ccccc1)c1ccccc1 ZINC000254312310 717170708 /nfs/dbraw/zinc/17/07/08/717170708.db2.gz JDCWTWUPZWPUDT-UHFFFAOYSA-O 1 1 355.502 4.019 50 30 FIEAMO Cn1nccc1[C@@H]1CCC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000328754271 1089907458 /nfs/dbraw/zinc/90/74/58/1089907458.db2.gz SLFCDCPZPCBAIC-QUCCMNQESA-N 1 1 366.509 4.024 50 30 FIEAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2C#N)c2ccccc2)cc1C ZINC000025049057 211421727 /nfs/dbraw/zinc/42/17/27/211421727.db2.gz DZTZODNLMOQJDJ-DEOSSOPVSA-N 1 1 369.468 4.493 50 30 FIEAMO CC[NH+](CC)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000001232573 210337973 /nfs/dbraw/zinc/33/79/73/210337973.db2.gz ZREQSHQZNKPOIB-UHFFFAOYSA-N 1 1 354.837 4.474 50 30 FIEAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1 ZINC000048361860 221009845 /nfs/dbraw/zinc/00/98/45/221009845.db2.gz FRONSYKXYWRHQH-GOSISDBHSA-N 1 1 361.489 4.361 50 30 FIEAMO N#Cc1cccc(C[NH+]2CCN(c3ccc4cc(Cl)ccc4n3)CC2)c1 ZINC000065373424 221205624 /nfs/dbraw/zinc/20/56/24/221205624.db2.gz QUDWOZPNPOWGBC-UHFFFAOYSA-N 1 1 362.864 4.082 50 30 FIEAMO N#Cc1ccnc(N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C2CC2)C3)c1 ZINC000095352459 132206915 /nfs/dbraw/zinc/20/69/15/132206915.db2.gz AEXOKDPRXOZFSV-OAQYLSRUSA-N 1 1 372.516 4.192 50 30 FIEAMO C#CC[N@H+](Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C)C1CCCCC1 ZINC000020997256 518262154 /nfs/dbraw/zinc/26/21/54/518262154.db2.gz BBWMLWZPJDCVHV-UHFFFAOYSA-N 1 1 366.461 4.205 50 30 FIEAMO C=CCNC(=O)[C@H]1C[C@H](c2cccc(C)c2)C[N@H+](Cc2ccc(F)cc2)C1 ZINC000034711443 518931434 /nfs/dbraw/zinc/93/14/34/518931434.db2.gz GDVNGPATRRQDMF-SFTDATJTSA-N 1 1 366.480 4.042 50 30 FIEAMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072304990 521732464 /nfs/dbraw/zinc/73/24/64/521732464.db2.gz GGGTXVAZGFXVAT-QUCCMNQESA-N 1 1 373.566 4.156 50 30 FIEAMO [NH2+]=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1cccc(Cl)c1 ZINC000004899096 526814335 /nfs/dbraw/zinc/81/43/35/526814335.db2.gz MKMKZLHPDGQFNF-UHFFFAOYSA-N 1 1 357.624 4.319 50 30 FIEAMO COc1ccc(/C=C/C=[NH+]/n2c(SC)nnc2-c2ccccc2)cc1 ZINC000004302741 570583990 /nfs/dbraw/zinc/58/39/90/570583990.db2.gz GAMKVIYNKLLUBV-WTOFFKHVSA-N 1 1 350.447 4.223 50 30 FIEAMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2cccs2)cc1 ZINC000010207389 571123332 /nfs/dbraw/zinc/12/33/32/571123332.db2.gz PQSKKWVIKNODGP-INIZCTEOSA-N 1 1 371.506 4.086 50 30 FIEAMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2cccs2)cc1 ZINC000010207389 571123334 /nfs/dbraw/zinc/12/33/34/571123334.db2.gz PQSKKWVIKNODGP-INIZCTEOSA-N 1 1 371.506 4.086 50 30 FIEAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1ccc(/N=C/c2ccccc2)cc1 ZINC000003896355 571188926 /nfs/dbraw/zinc/18/89/26/571188926.db2.gz DCAKOVFISXHORD-YRBLKVLBSA-N 1 1 366.505 4.440 50 30 FIEAMO COC(C)(C)CCC[C@](C)(O)C#C[C@@H](C)[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055142316 210068966 /nfs/dbraw/zinc/06/89/66/210068966.db2.gz RBNPONNUFQLAEM-LSWJPFSZSA-N 1 1 372.553 4.347 50 30 biogenic,in-vitro FIEAMO COC(C)(C)CCC[C@](C)(O)C#C[C@@H](C)[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055142316 210068969 /nfs/dbraw/zinc/06/89/69/210068969.db2.gz RBNPONNUFQLAEM-LSWJPFSZSA-N 1 1 372.553 4.347 50 30 biogenic,in-vitro FIEAMO C[C@@H]1CCC[N@H+](CN2c3ccccc3/C(=N/c3ccc(Cl)cc3)C2=O)C1 ZINC000016609071 220189215 /nfs/dbraw/zinc/18/92/15/220189215.db2.gz JSUKZRDGPINOTD-LYLVPTPKSA-N 1 1 367.880 4.497 50 30 FIEAMO C[C@@H]1CCC[N@@H+](CN2c3ccccc3/C(=N/c3ccc(Cl)cc3)C2=O)C1 ZINC000016609071 220189216 /nfs/dbraw/zinc/18/92/16/220189216.db2.gz JSUKZRDGPINOTD-LYLVPTPKSA-N 1 1 367.880 4.497 50 30 FIEAMO C[N@@H+]1CCc2c(C#N)c(/N=C/c3cc(C(C)(C)C)ccc3O)sc2C1 ZINC000001241889 210338682 /nfs/dbraw/zinc/33/86/82/210338682.db2.gz TWLSJXOOTDVYIZ-SSDVNMTOSA-N 1 1 353.491 4.361 50 30 FIEAMO C[N@H+]1CCc2c(C#N)c(/N=C/c3cc(C(C)(C)C)ccc3O)sc2C1 ZINC000001241889 210338685 /nfs/dbraw/zinc/33/86/85/210338685.db2.gz TWLSJXOOTDVYIZ-SSDVNMTOSA-N 1 1 353.491 4.361 50 30 FIEAMO C#CC[N@H+](Cc1nc(-c2ccc(OC)cc2OC)oc1C)C1CCCCC1 ZINC000020255185 518262678 /nfs/dbraw/zinc/26/26/78/518262678.db2.gz NXZFNSGLAOJBNC-UHFFFAOYSA-N 1 1 368.477 4.435 50 30 FIEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036099016 518993083 /nfs/dbraw/zinc/99/30/83/518993083.db2.gz MYHQKTCRIKRDMX-JOCHJYFZSA-N 1 1 357.469 4.008 50 30 FIEAMO C=CCc1cc(C[N@H+](C)Cc2[nH]nc3c2CCC3)cc(OC)c1OC(C)C ZINC000055307303 519129647 /nfs/dbraw/zinc/12/96/47/519129647.db2.gz FOKHMSPBCMWWSM-UHFFFAOYSA-N 1 1 369.509 4.055 50 30 FIEAMO C=CCc1cc(C[N@@H+](C)Cc2[nH]nc3c2CCC3)cc(OC)c1OC(C)C ZINC000055307303 519129654 /nfs/dbraw/zinc/12/96/54/519129654.db2.gz FOKHMSPBCMWWSM-UHFFFAOYSA-N 1 1 369.509 4.055 50 30 FIEAMO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000023804731 524881593 /nfs/dbraw/zinc/88/15/93/524881593.db2.gz OPQVSNMRRDLLPZ-STQMWFEESA-N 1 1 374.466 4.284 50 30 FIEAMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000036396312 526033714 /nfs/dbraw/zinc/03/37/14/526033714.db2.gz VHDVSVWGAABSPJ-KRWDZBQOSA-N 1 1 361.445 4.372 50 30 FIEAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000036396312 526033723 /nfs/dbraw/zinc/03/37/23/526033723.db2.gz VHDVSVWGAABSPJ-KRWDZBQOSA-N 1 1 361.445 4.372 50 30 FIEAMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000008071233 568290888 /nfs/dbraw/zinc/29/08/88/568290888.db2.gz FSRZFSSMPNRXPA-UHFFFAOYSA-N 1 1 373.547 4.329 50 30 FIEAMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000008071233 568290890 /nfs/dbraw/zinc/29/08/90/568290890.db2.gz FSRZFSSMPNRXPA-UHFFFAOYSA-N 1 1 373.547 4.329 50 30 FIEAMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1[C@@H]1CCCO1 ZINC000329823179 570625726 /nfs/dbraw/zinc/62/57/26/570625726.db2.gz HOJPIICYBNDBEJ-FUHWJXTLSA-N 1 1 361.873 4.079 50 30 FIEAMO C[NH+](C)C=CC(=CC(=O)C(F)(F)F)Nc1ccc(OC(F)(F)F)cc1 ZINC000005586240 570678861 /nfs/dbraw/zinc/67/88/61/570678861.db2.gz XFKKDQKAAHCHMQ-MFDVASPDSA-N 1 1 368.277 4.088 50 30 FIEAMO C=CCc1ccc(OCC[N@H+]2CCCC[C@@H]2c2cccnc2)c(OC)c1 ZINC000008792537 571062050 /nfs/dbraw/zinc/06/20/50/571062050.db2.gz HGBFDCGNPIAHQI-HXUWFJFHSA-N 1 1 352.478 4.425 50 30 biogenic FIEAMO CC[N@H+](CC(=O)N(CCC#N)c1ccc(C)cc1)[C@@H](C)c1cccc(O)c1 ZINC000072308231 571065993 /nfs/dbraw/zinc/06/59/93/571065993.db2.gz SEPOTTSYJRMJQJ-SFHVURJKSA-N 1 1 365.477 4.030 50 30 FIEAMO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(C)cc1)[C@@H](C)c1cccc(O)c1 ZINC000072308231 571065994 /nfs/dbraw/zinc/06/59/94/571065994.db2.gz SEPOTTSYJRMJQJ-SFHVURJKSA-N 1 1 365.477 4.030 50 30 FIEAMO COc1cccc([C@@H]2CCC[N@H+]2CCCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000244723907 571089375 /nfs/dbraw/zinc/08/93/75/571089375.db2.gz MJTYEYAUOCUYDI-NRFANRHFSA-N 1 1 363.461 4.123 50 30 FIEAMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2cccs2)cc1 ZINC000010207390 571123458 /nfs/dbraw/zinc/12/34/58/571123458.db2.gz PQSKKWVIKNODGP-MRXNPFEDSA-N 1 1 371.506 4.086 50 30 FIEAMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2cccs2)cc1 ZINC000010207390 571123463 /nfs/dbraw/zinc/12/34/63/571123463.db2.gz PQSKKWVIKNODGP-MRXNPFEDSA-N 1 1 371.506 4.086 50 30 FIEAMO CCCNC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020097974 220312350 /nfs/dbraw/zinc/31/23/50/220312350.db2.gz XSWSQUOKLFIBEL-UHFFFAOYSA-N 1 1 353.535 4.089 50 30 FIEAMO N#Cc1ccnc(N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C2CC2)C3)c1 ZINC000095352460 132206901 /nfs/dbraw/zinc/20/69/01/132206901.db2.gz AEXOKDPRXOZFSV-NRFANRHFSA-N 1 1 372.516 4.192 50 30 FIEAMO [NH2+]=C(NOC(=O)c1ccc2ccccc2c1)c1ccc(Br)cc1 ZINC000004725408 570603321 /nfs/dbraw/zinc/60/33/21/570603321.db2.gz VJSJJKQOLNGQMW-UHFFFAOYSA-N 1 1 369.218 4.080 50 30 FIEAMO CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000040135381 571083517 /nfs/dbraw/zinc/08/35/17/571083517.db2.gz GRHPYHKBBVQXFQ-CVEARBPZSA-N 1 1 369.896 4.472 50 30 FIEAMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1C#N ZINC000584886029 571202284 /nfs/dbraw/zinc/20/22/84/571202284.db2.gz JKMBAHDBRCPQBA-MRXNPFEDSA-N 1 1 350.491 4.369 50 30 FIEAMO C=CC[N@H+]1C[C@@H](C(=O)Nc2ccc(OC)cc2)CC[C@H]1c1ccccc1 ZINC000037545935 571287771 /nfs/dbraw/zinc/28/77/71/571287771.db2.gz VDNPYHSIJHSIRO-RXVVDRJESA-N 1 1 350.462 4.273 50 30 FIEAMO N#Cc1nc(/C=C/c2ccccc2)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000057334279 571342539 /nfs/dbraw/zinc/34/25/39/571342539.db2.gz PKTNQRPHEXGLRQ-VAWYXSNFSA-N 1 1 370.456 4.039 50 30 FIEAMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCCCCC2)c1C#N ZINC000008119240 571359089 /nfs/dbraw/zinc/35/90/89/571359089.db2.gz UZQPJAFJWVVCAM-UHFFFAOYSA-N 1 1 356.514 4.296 50 30 FIEAMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1cccs1 ZINC000008156969 571359583 /nfs/dbraw/zinc/35/95/83/571359583.db2.gz MSXHFCIONCDWKR-CYBMUJFWSA-N 1 1 373.547 4.409 50 30 FIEAMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1cccs1 ZINC000008156969 571359584 /nfs/dbraw/zinc/35/95/84/571359584.db2.gz MSXHFCIONCDWKR-CYBMUJFWSA-N 1 1 373.547 4.409 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000019882207 220303824 /nfs/dbraw/zinc/30/38/24/220303824.db2.gz QPOWVFQWONVQKZ-ZVHZXABRSA-N 1 1 361.411 4.166 50 30 FIEAMO N#Cc1cccnc1NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000048289302 221005076 /nfs/dbraw/zinc/00/50/76/221005076.db2.gz DEFXXCYQXJKFSP-UHFFFAOYSA-N 1 1 360.383 4.049 50 30 FIEAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3ncccc3C#N)CC2)C1 ZINC000096150408 132220753 /nfs/dbraw/zinc/22/07/53/132220753.db2.gz XPDUWLRSZUOANC-NRFANRHFSA-N 1 1 360.505 4.049 50 30 FIEAMO CCCCCCC[C@](O)(CC[NH+]1CCOCC1)c1ccc(OCC)cc1 ZINC000098048921 222223099 /nfs/dbraw/zinc/22/30/99/222223099.db2.gz WKQFJGMSPZXHLH-QFIPXVFZSA-N 1 1 363.542 4.356 50 30 FIEAMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc2c(c1)OCO2 ZINC000036101929 518719508 /nfs/dbraw/zinc/71/95/08/518719508.db2.gz PQQBLUBOMMQYSY-HXUWFJFHSA-N 1 1 353.462 4.053 50 30 FIEAMO C=CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669687 518918933 /nfs/dbraw/zinc/91/89/33/518918933.db2.gz DCOHHRQTUBHIPK-CTNGQTDRSA-N 1 1 352.453 4.081 50 30 FIEAMO C=CCNC(=O)[C@H]1C[C@@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2F)C1 ZINC000034711414 518929664 /nfs/dbraw/zinc/92/96/64/518929664.db2.gz HCIHRRHFRRIKPK-RTWAWAEBSA-N 1 1 366.480 4.042 50 30 FIEAMO C=CCc1ccccc1OCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020500196 519143705 /nfs/dbraw/zinc/14/37/05/519143705.db2.gz QTBZZZKZFIOPCH-UHFFFAOYSA-N 1 1 364.533 4.392 50 30 FIEAMO [NH2+]=C(NOC(=O)c1cccc2ccccc21)c1ccc(Br)cc1 ZINC000004888464 526810289 /nfs/dbraw/zinc/81/02/89/526810289.db2.gz IVDBCHMLCONBKZ-UHFFFAOYSA-N 1 1 369.218 4.080 50 30 FIEAMO C/C(=N\N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1ccncc1 ZINC000012342958 570738215 /nfs/dbraw/zinc/73/82/15/570738215.db2.gz PXCQCBOGRVCHKF-NLRVBDNBSA-N 1 1 368.484 4.193 50 30 FIEAMO CC[NH+](CC)c1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)c(C)c1 ZINC000044842476 570901179 /nfs/dbraw/zinc/90/11/79/570901179.db2.gz FMSDLQABKQKVCV-ZHACJKMWSA-N 1 1 352.434 4.378 50 30 FIEAMO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000026924671 571009280 /nfs/dbraw/zinc/00/92/80/571009280.db2.gz ZKXBTNNPSHAOJR-SFHVURJKSA-N 1 1 362.433 4.470 50 30 FIEAMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000026924671 571009285 /nfs/dbraw/zinc/00/92/85/571009285.db2.gz ZKXBTNNPSHAOJR-SFHVURJKSA-N 1 1 362.433 4.470 50 30 FIEAMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000029122442 571036770 /nfs/dbraw/zinc/03/67/70/571036770.db2.gz SRTTXSADWWZBNN-SFHVURJKSA-N 1 1 353.491 4.140 50 30 FIEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103933 571242239 /nfs/dbraw/zinc/24/22/39/571242239.db2.gz YARGQHCCNDDVCC-NRFANRHFSA-N 1 1 367.489 4.361 50 30 FIEAMO C=CCOc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2C(C)C)cc1 ZINC000006790356 571246649 /nfs/dbraw/zinc/24/66/49/571246649.db2.gz MCPXDPXWLHKVHP-FQEVSTJZSA-N 1 1 369.505 4.247 50 30 FIEAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000426578534 571322165 /nfs/dbraw/zinc/32/21/65/571322165.db2.gz DQDQXZIAXOUBGQ-UHFFFAOYSA-N 1 1 361.489 4.172 50 30 FIEAMO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2cccc3ccccc32)cc1 ZINC000003439406 571349706 /nfs/dbraw/zinc/34/97/06/571349706.db2.gz LBQRNKSOVVBZMY-UHFFFAOYSA-N 1 1 360.457 4.475 50 30 FIEAMO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cccc3ccccc32)cc1 ZINC000003439406 571349707 /nfs/dbraw/zinc/34/97/07/571349707.db2.gz LBQRNKSOVVBZMY-UHFFFAOYSA-N 1 1 360.457 4.475 50 30 FIEAMO Cn1nccc1[C@@H]1CCC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000328754274 1089907221 /nfs/dbraw/zinc/90/72/21/1089907221.db2.gz SLFCDCPZPCBAIC-UYAOXDASSA-N 1 1 366.509 4.024 50 30 FIEAMO CCN1CCCc2cc(/C=[NH+]/NC(=S)Nc3ccc(C)cc3)ccc21 ZINC000003036795 132384626 /nfs/dbraw/zinc/38/46/26/132384626.db2.gz HLXDBNXQQJGKJS-KGENOOAVSA-N 1 1 352.507 4.088 50 30 FIEAMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000229810594 518779960 /nfs/dbraw/zinc/77/99/60/518779960.db2.gz RUMSCAMATHWSDW-HUUCEWRRSA-N 1 1 369.962 4.220 50 30 FIEAMO C=CCOc1ccccc1C[N@@H+](CC)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000067921727 519067601 /nfs/dbraw/zinc/06/76/01/519067601.db2.gz BJFUZDCAQUYMGV-UHFFFAOYSA-N 1 1 366.436 4.254 50 30 FIEAMO CSc1ccc(C=NN2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1 ZINC000243914717 525983348 /nfs/dbraw/zinc/98/33/48/525983348.db2.gz BJXHKJWEHKPVJK-UHFFFAOYSA-N 1 1 353.535 4.177 50 30 FIEAMO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000329036566 570521543 /nfs/dbraw/zinc/52/15/43/570521543.db2.gz CJUKWHPTHAABLV-RCCFBDPRSA-N 1 1 351.475 4.476 50 30 FIEAMO CC(C)(C)C(=O)Nc1sc2c(c1C#N)CC[N@@H+](Cc1ccccc1)C2 ZINC000023153765 571218918 /nfs/dbraw/zinc/21/89/18/571218918.db2.gz RCOFVWXRJOYQQT-UHFFFAOYSA-N 1 1 353.491 4.163 50 30 FIEAMO CC(C)(C)C(=O)Nc1sc2c(c1C#N)CC[N@H+](Cc1ccccc1)C2 ZINC000023153765 571218921 /nfs/dbraw/zinc/21/89/21/571218921.db2.gz RCOFVWXRJOYQQT-UHFFFAOYSA-N 1 1 353.491 4.163 50 30 FIEAMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nccn3Cc3ccccc3)C2)cc1 ZINC000082099331 571322706 /nfs/dbraw/zinc/32/27/06/571322706.db2.gz MPUPHSVCJNFWHL-JOCHJYFZSA-N 1 1 356.473 4.183 50 30 FIEAMO CCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2ccc(CC)cc2)cc1 ZINC000003051094 571344311 /nfs/dbraw/zinc/34/43/11/571344311.db2.gz NCHRFOCIXIEUCQ-RCCKNPSSSA-N 1 1 354.523 4.416 50 30 FIEAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000013011202 220052567 /nfs/dbraw/zinc/05/25/67/220052567.db2.gz OQFPCDDQAWFXAM-NRFANRHFSA-N 1 1 363.461 4.123 50 30 FIEAMO C=CCc1cc(OC)ccc1OCC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000008737976 519132581 /nfs/dbraw/zinc/13/25/81/519132581.db2.gz CPDRDUXZXMJPET-NRFANRHFSA-N 1 1 352.478 4.425 50 30 biogenic FIEAMO COc1ccccc1C[N@H+](Cc1ccc(C#CC(C)(C)O)s1)C1CC1 ZINC000055120096 524443208 /nfs/dbraw/zinc/44/32/08/524443208.db2.gz QQWWOUCFAKWKKT-UHFFFAOYSA-N 1 1 355.503 4.044 50 30 FIEAMO COc1ccccc1C[N@@H+](Cc1ccc(C#CC(C)(C)O)s1)C1CC1 ZINC000055120096 524443214 /nfs/dbraw/zinc/44/32/14/524443214.db2.gz QQWWOUCFAKWKKT-UHFFFAOYSA-N 1 1 355.503 4.044 50 30 FIEAMO CC(=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1ccco1 ZINC000004183696 571062770 /nfs/dbraw/zinc/06/27/70/571062770.db2.gz HWSDPZHPCPHGHX-UHFFFAOYSA-N 1 1 357.457 4.391 50 30 FIEAMO COc1ccccc1OCC[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000072312061 571079951 /nfs/dbraw/zinc/07/99/51/571079951.db2.gz IZKFBIBKFPYVRR-UHFFFAOYSA-N 1 1 363.379 4.076 50 30 FIEAMO CCCCCCCOc1cccc(C[NH2+]Cc2nnc3ccccn32)c1 ZINC000097971406 571205519 /nfs/dbraw/zinc/20/55/19/571205519.db2.gz PVSYRZHFSGIWNQ-UHFFFAOYSA-N 1 1 352.482 4.368 50 30 FIEAMO C=CCOc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2C(C)C)cc1 ZINC000006790355 571246663 /nfs/dbraw/zinc/24/66/63/571246663.db2.gz MCPXDPXWLHKVHP-HXUWFJFHSA-N 1 1 369.505 4.247 50 30 FIEAMO CCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2ccccc2CC)cc1 ZINC000003046525 571344051 /nfs/dbraw/zinc/34/40/51/571344051.db2.gz HGCDSKUCDDEXQE-RCCKNPSSSA-N 1 1 354.523 4.416 50 30 FIEAMO CCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2ccc(C)cc2C)cc1 ZINC000003051101 571344288 /nfs/dbraw/zinc/34/42/88/571344288.db2.gz NYJPEUVKOUBPKA-KGENOOAVSA-N 1 1 354.523 4.470 50 30 FIEAMO CC(=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1cccnc1 ZINC000004183700 571356572 /nfs/dbraw/zinc/35/65/72/571356572.db2.gz LYRHBDYLHIRALJ-UHFFFAOYSA-N 1 1 368.484 4.193 50 30 FIEAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000013011203 220052917 /nfs/dbraw/zinc/05/29/17/220052917.db2.gz OQFPCDDQAWFXAM-OAQYLSRUSA-N 1 1 363.461 4.123 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3cccc(Cl)c3Cl)CC2)cc1 ZINC000020146377 220316314 /nfs/dbraw/zinc/31/63/14/220316314.db2.gz GTBSGUCDHQARNC-XKZIYDEJSA-N 1 1 362.304 4.454 50 30 FIEAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CCCCC#N)CC2 ZINC000058338796 221115084 /nfs/dbraw/zinc/11/50/84/221115084.db2.gz MSJRFAASCSAWJJ-HXUWFJFHSA-N 1 1 356.491 4.407 50 30 FIEAMO CCc1ccc(NC(=S)N/[NH+]=C/c2ccc3c(c2)CCCN3CC)cc1 ZINC000003036798 523993498 /nfs/dbraw/zinc/99/34/98/523993498.db2.gz ADDKWBKINZONPE-PXLXIMEGSA-N 1 1 366.534 4.342 50 30 FIEAMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)c1C ZINC000069701419 524523269 /nfs/dbraw/zinc/52/32/69/524523269.db2.gz LDGNGQACZQBIMW-OAQYLSRUSA-N 1 1 361.489 4.040 50 30 FIEAMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)c1cccc(OC)c1 ZINC000040122942 571081162 /nfs/dbraw/zinc/08/11/62/571081162.db2.gz OUVPFEQEQVTEIY-CQSZACIVSA-N 1 1 357.479 4.040 50 30 FIEAMO C=CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(-c3cc(C)nc(C)c3)c2)C[C@H]1C ZINC000426498455 571228702 /nfs/dbraw/zinc/22/87/02/571228702.db2.gz HLXAZBGYODNLTQ-RTBURBONSA-N 1 1 363.505 4.086 50 30 FIEAMO C=CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(-c3cc(C)nc(C)c3)c2)C[C@H]1C ZINC000426498455 571228703 /nfs/dbraw/zinc/22/87/03/571228703.db2.gz HLXAZBGYODNLTQ-RTBURBONSA-N 1 1 363.505 4.086 50 30 FIEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000036103986 571242172 /nfs/dbraw/zinc/24/21/72/571242172.db2.gz DDQLMADNNFJOLS-JOCHJYFZSA-N 1 1 357.469 4.008 50 30 FIEAMO O=[N+](Cc1cc(Br)cc(Br)c1O)c1ccccc1 ZINC000004550766 571270975 /nfs/dbraw/zinc/27/09/75/571270975.db2.gz KIDADVFYVHRMKH-PXNMLYILSA-N 1 1 371.028 4.178 50 30 FIEAMO C[N@@H+](CCCNC(=O)c1cccc(-c2ccccc2C#N)c1)C1CCCC1 ZINC000426428904 571322018 /nfs/dbraw/zinc/32/20/18/571322018.db2.gz RRUXVSFPNLDXMA-UHFFFAOYSA-N 1 1 361.489 4.220 50 30 FIEAMO CC(C)(C)c1cc(C[NH+]2CCN(CCC#N)CC2)cc(C(C)(C)C)c1O ZINC000095807857 571331963 /nfs/dbraw/zinc/33/19/63/571331963.db2.gz VZBFXCHCSOFTQH-UHFFFAOYSA-N 1 1 357.542 4.018 50 30 FIEAMO CC1(C)C(=O)N(c2ccccc2)/C(=N/C2CCCCC2)[C@@H]1[NH+]1CCCC1 ZINC000015729216 220161868 /nfs/dbraw/zinc/16/18/68/220161868.db2.gz KEPGTJRFQJFQKK-YFJJEWJYSA-N 1 1 353.510 4.255 50 30 FIEAMO C=CCN(Cc1ccccc1Cl)C(=O)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000055358892 221067155 /nfs/dbraw/zinc/06/71/55/221067155.db2.gz AUYOBUPIMWIWCU-FQEVSTJZSA-N 1 1 369.896 4.087 50 30 FIEAMO C=CCn1cc(C[N@H+]2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)c(C)n1 ZINC000065531910 221231645 /nfs/dbraw/zinc/23/16/45/221231645.db2.gz REWLLDSEINSLBG-HXUWFJFHSA-N 1 1 374.488 4.135 50 30 FIEAMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)o1 ZINC000071763025 221369552 /nfs/dbraw/zinc/36/95/52/221369552.db2.gz JFSPBFCRTZNXDD-OAQYLSRUSA-N 1 1 358.441 4.262 50 30 FIEAMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)o1 ZINC000071763025 221369555 /nfs/dbraw/zinc/36/95/55/221369555.db2.gz JFSPBFCRTZNXDD-OAQYLSRUSA-N 1 1 358.441 4.262 50 30 FIEAMO C=CCNC(=O)[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669684 518919672 /nfs/dbraw/zinc/91/96/72/518919672.db2.gz DCOHHRQTUBHIPK-TZIWHRDSSA-N 1 1 352.453 4.081 50 30 FIEAMO CCOc1ccccc1NC(=O)ONC(=[NH2+])Cc1cccc2ccccc21 ZINC000004392997 521544298 /nfs/dbraw/zinc/54/42/98/521544298.db2.gz QBOVHWYNQMSOLX-UHFFFAOYSA-N 1 1 363.417 4.302 50 30 FIEAMO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000329036564 570521611 /nfs/dbraw/zinc/52/16/11/570521611.db2.gz CJUKWHPTHAABLV-KZNAEPCWSA-N 1 1 351.475 4.476 50 30 FIEAMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1[C@@H]1CCCO1 ZINC000329823183 570625652 /nfs/dbraw/zinc/62/56/52/570625652.db2.gz HOJPIICYBNDBEJ-WMZOPIPTSA-N 1 1 361.873 4.079 50 30 FIEAMO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022830166 570950487 /nfs/dbraw/zinc/95/04/87/570950487.db2.gz KCULCIXQHUUUNX-UHFFFAOYSA-N 1 1 373.422 4.285 50 30 FIEAMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022830166 570950489 /nfs/dbraw/zinc/95/04/89/570950489.db2.gz KCULCIXQHUUUNX-UHFFFAOYSA-N 1 1 373.422 4.285 50 30 FIEAMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022830166 570950494 /nfs/dbraw/zinc/95/04/94/570950494.db2.gz KCULCIXQHUUUNX-UHFFFAOYSA-N 1 1 373.422 4.285 50 30 FIEAMO N#Cc1ccccc1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000008394276 571045110 /nfs/dbraw/zinc/04/51/10/571045110.db2.gz NGDDKXSLDUONKY-UHFFFAOYSA-N 1 1 355.441 4.199 50 30 FIEAMO CCn1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1C#N ZINC000584886028 571202135 /nfs/dbraw/zinc/20/21/35/571202135.db2.gz JKMBAHDBRCPQBA-INIZCTEOSA-N 1 1 350.491 4.369 50 30 FIEAMO C[NH+]1CCN(C(=O)c2ccc(-c3ccc(C4(C#N)CCCC4)cc3)cc2)CC1 ZINC000534662682 571209299 /nfs/dbraw/zinc/20/92/99/571209299.db2.gz LLGNJDURNFUWQL-UHFFFAOYSA-N 1 1 373.500 4.077 50 30 FIEAMO CC(=O)c1ccc(C#N)cc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000095469181 571330680 /nfs/dbraw/zinc/33/06/80/571330680.db2.gz ODCYMOJVGYNJEB-UHFFFAOYSA-N 1 1 367.880 4.127 50 30 FIEAMO CC(=O)c1ccc(C#N)cc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000095469181 571330681 /nfs/dbraw/zinc/33/06/81/571330681.db2.gz ODCYMOJVGYNJEB-UHFFFAOYSA-N 1 1 367.880 4.127 50 30 FIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)Cc4ccccc4)[C@H]3C[C@@H]12 ZINC000004073536 571354757 /nfs/dbraw/zinc/35/47/57/571354757.db2.gz GZTKHMWCEUGWEE-ZFVIQDPVSA-N 1 1 353.506 4.433 50 30 biogenic FIEAMO CCn1cc(/C=C2/Oc3c(ccc([O-])c3CN(C)C)C2=O)c2ccccc21 ZINC000020649937 220337693 /nfs/dbraw/zinc/33/76/93/220337693.db2.gz NEHVMHHNIOSNQY-RGVLZGJSSA-N 1 1 362.429 4.045 50 30 FIEAMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072304989 521726953 /nfs/dbraw/zinc/72/69/53/521726953.db2.gz GGGTXVAZGFXVAT-UYAOXDASSA-N 1 1 373.566 4.156 50 30 FIEAMO CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000040135380 571083610 /nfs/dbraw/zinc/08/36/10/571083610.db2.gz GRHPYHKBBVQXFQ-HOTGVXAUSA-N 1 1 369.896 4.472 50 30 FIEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1C ZINC000036104639 571242201 /nfs/dbraw/zinc/24/22/01/571242201.db2.gz VZMJNVLLZKAQFH-HXUWFJFHSA-N 1 1 353.462 4.053 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000019833190 220302348 /nfs/dbraw/zinc/30/23/48/220302348.db2.gz PGKQAVXAGFHWQZ-LPYMAVHISA-N 1 1 362.304 4.454 50 30 FIEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000022107662 220376684 /nfs/dbraw/zinc/37/66/84/220376684.db2.gz WNDIXGVPUOWMQF-XKZIYDEJSA-N 1 1 362.304 4.454 50 30 FIEAMO Cc1cc(C)cc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@@H](C)C3)C2=O)c1 ZINC000004619975 263335207 /nfs/dbraw/zinc/33/52/07/263335207.db2.gz DJRBOYMEIRDDGQ-RNKPHZFSSA-N 1 1 361.489 4.460 50 30 FIEAMO Cc1cc(C)cc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@@H](C)C3)C2=O)c1 ZINC000004619975 263335208 /nfs/dbraw/zinc/33/52/08/263335208.db2.gz DJRBOYMEIRDDGQ-RNKPHZFSSA-N 1 1 361.489 4.460 50 30 FIEAMO C=CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CCc1ccccc1 ZINC000005610587 263342158 /nfs/dbraw/zinc/34/21/58/263342158.db2.gz UNMNQJGQYLXPDS-LAUBAEHRSA-N 1 1 354.450 4.138 50 30 FIEAMO C=CCNC(=O)[C@@H]1C[C@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2F)C1 ZINC000034711417 518921770 /nfs/dbraw/zinc/92/17/70/518921770.db2.gz HCIHRRHFRRIKPK-LEWJYISDSA-N 1 1 366.480 4.042 50 30 FIEAMO Cc1csc(C(=O)ONC(=[NH2+])c2ccc(C(C)(C)C)cc2)c1Cl ZINC000004324010 526318138 /nfs/dbraw/zinc/31/81/38/526318138.db2.gz QCOFEDCRERPQBT-UHFFFAOYSA-N 1 1 350.871 4.485 50 30 FIEAMO N#CC1(c2ccccc2)CCN(Cc2cc(C[NH+]3CCCC3)cs2)CC1 ZINC000215365419 526439386 /nfs/dbraw/zinc/43/93/86/526439386.db2.gz YXJUWJZTHYWIHQ-UHFFFAOYSA-N 1 1 365.546 4.401 50 30 FIEAMO