smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C)c(NC(=S)NCCC[NH+]2CCOCC2)cc1OC ZINC000013687016 539590704 /nfs/dbraw/zinc/59/07/04/539590704.db2.gz ZTGXGZAJGOCKKI-UHFFFAOYSA-N 1 1 353.488 2.432 50 30 FEEAMO CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CC[NH+](CCO)CC2)n1 ZINC000019820721 539670154 /nfs/dbraw/zinc/67/01/54/539670154.db2.gz YVNGWADGOYZLII-UHFFFAOYSA-N 1 1 369.494 2.160 50 30 FEEAMO Cc1ccccc1C[N@H+]1CC[C@H](Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)C1 ZINC000067563024 205375194 /nfs/dbraw/zinc/37/51/94/205375194.db2.gz HGEWPKDZIPKALT-INIZCTEOSA-N 1 1 374.444 2.392 50 30 FEEAMO C=CCn1c(NN)nc2sc3c(c2c1=O)CC[N@@H+](Cc1ccccc1)C3 ZINC000019882281 206328009 /nfs/dbraw/zinc/32/80/09/206328009.db2.gz FFGZCPPCKADIJP-UHFFFAOYSA-N 1 1 367.478 2.488 50 30 FEEAMO C=CCn1c(NN)nc2sc3c(c2c1=O)CC[N@H+](Cc1ccccc1)C3 ZINC000019882281 206328014 /nfs/dbraw/zinc/32/80/14/206328014.db2.gz FFGZCPPCKADIJP-UHFFFAOYSA-N 1 1 367.478 2.488 50 30 FEEAMO COC(C[N@@H+](C)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@H]12)OC ZINC000061992825 221138086 /nfs/dbraw/zinc/13/80/86/221138086.db2.gz VDNOZODENXPGDB-VEPVZFAASA-N 1 1 367.486 2.063 50 30 FEEAMO COC(=O)c1cc(C#N)c(N2CCN(c3[nH+]cccc3C)CC2)nc1C ZINC000077406003 132183343 /nfs/dbraw/zinc/18/33/43/132183343.db2.gz UBQXWBIHSDVTLN-UHFFFAOYSA-N 1 1 351.410 2.078 50 30 FEEAMO C[N@H+]1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 ZINC000022926880 523905642 /nfs/dbraw/zinc/90/56/42/523905642.db2.gz PYQHUAKAECCZRV-IFMALSPDSA-N 1 1 365.477 2.481 50 30 FEEAMO CN1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 ZINC000022926880 523905647 /nfs/dbraw/zinc/90/56/47/523905647.db2.gz PYQHUAKAECCZRV-IFMALSPDSA-N 1 1 365.477 2.481 50 30 FEEAMO CN1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 ZINC000022926880 523905651 /nfs/dbraw/zinc/90/56/51/523905651.db2.gz PYQHUAKAECCZRV-IFMALSPDSA-N 1 1 365.477 2.481 50 30 FEEAMO C=CCn1c(C[N@@H+]2CCC[C@H](c3nnc(CO)n3C)C2)nc2ccccc21 ZINC000215543833 548672540 /nfs/dbraw/zinc/67/25/40/548672540.db2.gz KNBNSGCVQHYYHT-HNNXBMFYSA-N 1 1 366.469 2.223 50 30 FEEAMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1Cl ZINC000246742747 549201408 /nfs/dbraw/zinc/20/14/08/549201408.db2.gz UZEUXEIGIKNGFI-JKSUJKDBSA-N 1 1 360.845 2.283 50 30 FEEAMO N#Cc1ccc(NC(=O)CC[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1Cl ZINC000246742747 549201410 /nfs/dbraw/zinc/20/14/10/549201410.db2.gz UZEUXEIGIKNGFI-JKSUJKDBSA-N 1 1 360.845 2.283 50 30 FEEAMO N#CC1(c2ccccc2)CCN(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)CC1 ZINC000426485628 559735609 /nfs/dbraw/zinc/73/56/09/559735609.db2.gz MGUCKPGUIWJLGD-IBGZPJMESA-N 1 1 370.497 2.100 50 30 FEEAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-c3ccc(C#N)nc3)c2)C1 ZINC000426512309 559736434 /nfs/dbraw/zinc/73/64/34/559736434.db2.gz RGEDZEDXYOPVFW-INIZCTEOSA-N 1 1 364.449 2.318 50 30 FEEAMO CN1CC[C@H]([N@@H+](C)CCC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000426477193 570606408 /nfs/dbraw/zinc/60/64/08/570606408.db2.gz JQGRTPKUFIJVMV-IBGZPJMESA-N 1 1 354.498 2.096 50 30 FEEAMO CN(CCC(=O)N1CCC(C#N)(c2ccccc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000426477193 570606410 /nfs/dbraw/zinc/60/64/10/570606410.db2.gz JQGRTPKUFIJVMV-IBGZPJMESA-N 1 1 354.498 2.096 50 30 FEEAMO CN(CCC(=O)N1CCC(C#N)(c2ccccc2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000426477193 570606413 /nfs/dbraw/zinc/60/64/13/570606413.db2.gz JQGRTPKUFIJVMV-IBGZPJMESA-N 1 1 354.498 2.096 50 30 FEEAMO C[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@H+]4CCC[C@@H]4C3)sc2C1 ZINC000023095830 539705974 /nfs/dbraw/zinc/70/59/74/539705974.db2.gz BQXPOWKWSSMFGL-UONOGXRCSA-N 1 1 358.511 2.463 50 30 FEEAMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000050275630 540404231 /nfs/dbraw/zinc/40/42/31/540404231.db2.gz BGHAAMGPRSAHMS-FQEVSTJZSA-N 1 1 362.518 2.155 50 30 FEEAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(c3cc(C#N)ccn3)C2)n1C ZINC000095383731 132209832 /nfs/dbraw/zinc/20/98/32/132209832.db2.gz HTFAGESUINFLQC-MRXNPFEDSA-N 1 1 362.441 2.019 50 30 FEEAMO C=CCN1CC[C@@]2(CN(C(=O)NCc3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000091691573 542820351 /nfs/dbraw/zinc/82/03/51/542820351.db2.gz RAJWJJIANCFWCU-OAQYLSRUSA-N 1 1 370.497 2.081 50 30 FEEAMO N#Cc1cccc([C@@H](C#CC2(O)CCCC2)[NH+]2CCC(C(N)=O)CC2)c1 ZINC000096162838 542994280 /nfs/dbraw/zinc/99/42/80/542994280.db2.gz YUIFJXZQWDQWOS-LJQANCHMSA-N 1 1 351.450 2.105 50 30 FEEAMO C=CCN1CC[C@]2(CN(Cc3c[nH]c(CCCC)n3)CC[N@H+]2C)CCC1=O ZINC000095368915 518869817 /nfs/dbraw/zinc/86/98/17/518869817.db2.gz QAOZYIDFCYNACC-NRFANRHFSA-N 1 1 373.545 2.437 50 30 FEEAMO C=CCN1CC[C@]2(CN(Cc3cnc(CCCC)[nH]3)CC[N@@H+]2C)CCC1=O ZINC000095368915 518869824 /nfs/dbraw/zinc/86/98/24/518869824.db2.gz QAOZYIDFCYNACC-NRFANRHFSA-N 1 1 373.545 2.437 50 30 FEEAMO C=CCN1CC[C@]2(CN(Cc3cnc(CCCC)[nH]3)CC[N@H+]2C)CCC1=O ZINC000095368915 518869830 /nfs/dbraw/zinc/86/98/30/518869830.db2.gz QAOZYIDFCYNACC-NRFANRHFSA-N 1 1 373.545 2.437 50 30 FEEAMO C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCC#CC[N@@H+](C)Cc1ccccc1 ZINC000085470623 525069137 /nfs/dbraw/zinc/06/91/37/525069137.db2.gz RVDYGOPAEPTUAN-DYESRHJHSA-N 1 1 364.445 2.467 50 30 FEEAMO N#Cc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000012999318 539581341 /nfs/dbraw/zinc/58/13/41/539581341.db2.gz QGNDPKJVDMWPHN-UHFFFAOYSA-N 1 1 365.433 2.086 50 30 FEEAMO CCN1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@@H]5[C@H]23)CC1 ZINC000035363914 539981323 /nfs/dbraw/zinc/98/13/23/539981323.db2.gz OURZJOAJOVHDAD-QEHOSYAESA-N 1 1 362.514 2.149 50 30 FEEAMO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(C#N)nc1)C2 ZINC000091757208 542823981 /nfs/dbraw/zinc/82/39/81/542823981.db2.gz DAZWTPXSTXZAQX-MAUKXSAKSA-N 1 1 365.437 2.295 50 30 FEEAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(C#N)nc1)C2 ZINC000091757208 542823983 /nfs/dbraw/zinc/82/39/83/542823983.db2.gz DAZWTPXSTXZAQX-MAUKXSAKSA-N 1 1 365.437 2.295 50 30 FEEAMO COc1ccc(C(=[NH2+])NOC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000005068369 263338758 /nfs/dbraw/zinc/33/87/58/263338758.db2.gz LCMBCJIZNGIBIO-UHFFFAOYSA-N 1 1 359.338 2.398 50 30 FEEAMO C=CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000024981628 518911759 /nfs/dbraw/zinc/91/17/59/518911759.db2.gz HEBLPXLKTWWNQV-CQSZACIVSA-N 1 1 358.438 2.043 50 30 FEEAMO N#Cc1ccc(N2CC[C@H](N3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)C2=O)cc1 ZINC000252549665 549674108 /nfs/dbraw/zinc/67/41/08/549674108.db2.gz RPEDYSZQWSRKQG-FFGOWVMKSA-N 1 1 350.466 2.080 50 30 FEEAMO Cc1ccccc1C[N@H+]1CCCN(CC(=O)NC2(C#N)CCCC2)CC1 ZINC000030153901 539874918 /nfs/dbraw/zinc/87/49/18/539874918.db2.gz PWPITNSIABJZND-UHFFFAOYSA-N 1 1 354.498 2.455 50 30 FEEAMO COc1nccc(N2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c1C#N ZINC000072470223 541818429 /nfs/dbraw/zinc/81/84/29/541818429.db2.gz NRMAHBXTVZFQEF-QGZVFWFLSA-N 1 1 370.428 2.174 50 30 FEEAMO COc1nccc(N2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c1C#N ZINC000072470223 541818432 /nfs/dbraw/zinc/81/84/32/541818432.db2.gz NRMAHBXTVZFQEF-QGZVFWFLSA-N 1 1 370.428 2.174 50 30 FEEAMO C[N@@H+](CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C#N)cc1)C1CCCC1 ZINC000219069786 206378681 /nfs/dbraw/zinc/37/86/81/206378681.db2.gz NMPUJEFDXYABGS-RTBURBONSA-N 1 1 357.454 2.085 50 30 FEEAMO C=CCN1CC[C@@]2(CN(C(=O)N(C)c3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091644968 542818204 /nfs/dbraw/zinc/81/82/04/542818204.db2.gz IZKKENYTPAZEIS-OAQYLSRUSA-N 1 1 370.497 2.428 50 30 FEEAMO N#Cc1ccnc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071419262 136139042 /nfs/dbraw/zinc/13/90/42/136139042.db2.gz UUAVXUDLVUCXSQ-GOSISDBHSA-N 1 1 367.497 2.256 50 30 FEEAMO C=CCN1CC[C@]2(CN(c3ncnc4sccc43)CC[N@@H+]2C)CCC1=O ZINC000092037825 534853153 /nfs/dbraw/zinc/85/31/53/534853153.db2.gz NSRCILWOGHZJAK-IBGZPJMESA-N 1 1 371.510 2.380 50 30 FEEAMO OCC[NH+]1CCN(C(=S)N/C(=N\c2ccccc2)c2ccccc2)CC1 ZINC000004320426 527553286 /nfs/dbraw/zinc/55/32/86/527553286.db2.gz NYCFEPZNBKHQON-UHFFFAOYSA-N 1 1 368.506 2.249 50 30 FEEAMO C#CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000230085678 548757735 /nfs/dbraw/zinc/75/77/35/548757735.db2.gz QDQJSSPCZBFLIG-BEFAXECRSA-N 1 1 361.436 2.395 50 30 FEEAMO C#CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000230085678 548757739 /nfs/dbraw/zinc/75/77/39/548757739.db2.gz QDQJSSPCZBFLIG-BEFAXECRSA-N 1 1 361.436 2.395 50 30 FEEAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000584892512 571314806 /nfs/dbraw/zinc/31/48/06/571314806.db2.gz ALBSUNJZJFXTKQ-OALUTQOASA-N 1 1 370.497 2.361 50 30 FEEAMO N#Cc1ccc(NC(=O)CCC[N@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000071762551 541771212 /nfs/dbraw/zinc/77/12/12/541771212.db2.gz YOEWVAAWGPVUQF-SFHVURJKSA-N 1 1 354.454 2.364 50 30 FEEAMO COC(=O)c1ccc(C(=O)NCC#CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000075164987 205035284 /nfs/dbraw/zinc/03/52/84/205035284.db2.gz WXCBBIWIJVFGPE-UHFFFAOYSA-N 1 1 362.429 2.265 50 30 FEEAMO COC(=O)c1ccc(C(=O)NCC#CC[N@H+]2CCc3ccccc3C2)cc1 ZINC000075164987 205035287 /nfs/dbraw/zinc/03/52/87/205035287.db2.gz WXCBBIWIJVFGPE-UHFFFAOYSA-N 1 1 362.429 2.265 50 30 FEEAMO CS(=O)(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3C#N)o2)CC1 ZINC000215534219 206347489 /nfs/dbraw/zinc/34/74/89/206347489.db2.gz SMTYEVIGHXQGFK-UHFFFAOYSA-N 1 1 359.451 2.332 50 30 FEEAMO C#CCC[NH+]1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000058299719 518250025 /nfs/dbraw/zinc/25/00/25/518250025.db2.gz ZXCCZJYMYPARMA-UHFFFAOYSA-N 1 1 372.856 2.490 50 30 FEEAMO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000072952782 525136132 /nfs/dbraw/zinc/13/61/32/525136132.db2.gz SLTSERDVHMBIKL-FXAWDEMLSA-N 1 1 357.454 2.182 50 30 FEEAMO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000072952782 525136139 /nfs/dbraw/zinc/13/61/39/525136139.db2.gz SLTSERDVHMBIKL-FXAWDEMLSA-N 1 1 357.454 2.182 50 30 FEEAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000104858869 526040670 /nfs/dbraw/zinc/04/06/70/526040670.db2.gz MQPKVVRHFFAPAD-AUUYWEPGSA-N 1 1 352.442 2.069 50 30 FEEAMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000284479664 551558235 /nfs/dbraw/zinc/55/82/35/551558235.db2.gz GMWKZCJQPXYXSI-YJBOKZPZSA-N 1 1 359.470 2.203 50 30 FEEAMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000284479664 551558239 /nfs/dbraw/zinc/55/82/39/551558239.db2.gz GMWKZCJQPXYXSI-YJBOKZPZSA-N 1 1 359.470 2.203 50 30 FEEAMO COCC[N@H+]1CC[C@H](CNC(=O)c2cccc(-c3ccc(C#N)nc3)c2)C1 ZINC000426512310 559736443 /nfs/dbraw/zinc/73/64/43/559736443.db2.gz RGEDZEDXYOPVFW-MRXNPFEDSA-N 1 1 364.449 2.318 50 30 FEEAMO COCCNc1nc(C)nc2c1CC[N@@H+](Cc1ccccc1C#N)CC2 ZINC000072411513 541807105 /nfs/dbraw/zinc/80/71/05/541807105.db2.gz NIGANLUJFUKKRL-UHFFFAOYSA-N 1 1 351.454 2.316 50 30 FEEAMO C[N@@H+]1CCc2c(C#N)c(/N=C/c3ccc(OCC(N)=O)cc3)sc2C1 ZINC000008091805 204318252 /nfs/dbraw/zinc/31/82/52/204318252.db2.gz XYUJLDWBDLLMEJ-ZVBGSRNCSA-N 1 1 354.435 2.222 50 30 FEEAMO C[N@H+]1CCc2c(C#N)c(/N=C/c3ccc(OCC(N)=O)cc3)sc2C1 ZINC000008091805 204318257 /nfs/dbraw/zinc/31/82/57/204318257.db2.gz XYUJLDWBDLLMEJ-ZVBGSRNCSA-N 1 1 354.435 2.222 50 30 FEEAMO CNC(=O)c1ccc(C[N@H+](CC(=O)NC2(C#N)CCCCC2)C2CC2)cc1 ZINC000058160072 205252197 /nfs/dbraw/zinc/25/21/97/205252197.db2.gz HNJUYJPRUBCABU-UHFFFAOYSA-N 1 1 368.481 2.353 50 30 FEEAMO CNC(=O)c1ccc(C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C2CC2)cc1 ZINC000058160072 205252198 /nfs/dbraw/zinc/25/21/98/205252198.db2.gz HNJUYJPRUBCABU-UHFFFAOYSA-N 1 1 368.481 2.353 50 30 FEEAMO N#Cc1cc2c(ccn(CC[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2=O)[nH]c1=O ZINC000067562078 205374570 /nfs/dbraw/zinc/37/45/70/205374570.db2.gz VSNMSDHXDLMQRO-QGZVFWFLSA-N 1 1 374.444 2.474 50 30 FEEAMO C[N@@H+](CCN(CC(=O)NCC#N)Cc1ccccc1)Cc1ccccc1 ZINC000075104882 542152687 /nfs/dbraw/zinc/15/26/87/542152687.db2.gz VTAWIICTXMHMLT-UHFFFAOYSA-N 1 1 350.466 2.260 50 30 FEEAMO C=CC[C@]1(CO)CCC[N@H+](Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000091998053 542836019 /nfs/dbraw/zinc/83/60/19/542836019.db2.gz UAYILQCQUAXTHI-SFHVURJKSA-N 1 1 352.862 2.355 50 30 FEEAMO COCC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000096000131 542986783 /nfs/dbraw/zinc/98/67/83/542986783.db2.gz YQCKVAOLPNGHOM-INIZCTEOSA-N 1 1 370.428 2.365 50 30 FEEAMO COCC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000096000131 542986788 /nfs/dbraw/zinc/98/67/88/542986788.db2.gz YQCKVAOLPNGHOM-INIZCTEOSA-N 1 1 370.428 2.365 50 30 FEEAMO N#Cc1ccc(NC(=O)CCC[NH+]2CCN(C(=O)c3ccc[nH]3)CC2)cc1 ZINC000243885540 548889136 /nfs/dbraw/zinc/88/91/36/548889136.db2.gz AABAILDCZPZGCQ-UHFFFAOYSA-N 1 1 365.437 2.063 50 30 FEEAMO OCC#Cc1ccc(C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cc1 ZINC000065385717 541235789 /nfs/dbraw/zinc/23/57/89/541235789.db2.gz HBAUBMKQHIHXJY-VQTJNVASSA-N 1 1 365.429 2.110 50 30 FEEAMO Cc1cccc([C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[NH+](C)C)c1 ZINC000095370232 132208665 /nfs/dbraw/zinc/20/86/65/132208665.db2.gz DYPWHACJOQWPEN-HXUWFJFHSA-N 1 1 363.465 2.213 50 30 FEEAMO CCN1CC[C@@]2(CN(c3nc(C)cc(C)c3C#N)CC[N@H+]2C)CCC1=O ZINC000095375882 132209277 /nfs/dbraw/zinc/20/92/77/132209277.db2.gz HIVKRZMNHDLLMA-HXUWFJFHSA-N 1 1 355.486 2.093 50 30 FEEAMO COc1cccc(C[N@@H+]2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)c1 ZINC000106988860 132241080 /nfs/dbraw/zinc/24/10/80/132241080.db2.gz NBFLEEPYMMXUSK-IBGZPJMESA-N 1 1 366.465 2.344 50 30 FEEAMO COc1cccc(C[N@H+]2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)c1 ZINC000106988860 132241081 /nfs/dbraw/zinc/24/10/81/132241081.db2.gz NBFLEEPYMMXUSK-IBGZPJMESA-N 1 1 366.465 2.344 50 30 FEEAMO COCC[N@H+]1CCC[C@@H](C(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000097772980 543016075 /nfs/dbraw/zinc/01/60/75/543016075.db2.gz ZIGKJRQOUIPOMI-GOSISDBHSA-N 1 1 355.482 2.429 50 30 FEEAMO CCCCCCCCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000097992553 543016785 /nfs/dbraw/zinc/01/67/85/543016785.db2.gz UNAZEDOUVXWZPH-UHFFFAOYSA-N 1 1 374.489 2.380 50 30 FEEAMO COc1ccc(O[C@H](C)C(=O)ONC(=[NH2+])c2ccc(OC)c(OC)c2)cc1 ZINC000005059459 263338764 /nfs/dbraw/zinc/33/87/64/263338764.db2.gz OJSUXBXTZOUEKC-GFCCVEGCSA-N 1 1 374.393 2.343 50 30 FEEAMO C=CC[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccs1 ZINC000027364066 518775287 /nfs/dbraw/zinc/77/52/87/518775287.db2.gz IDZHYPCIGNKWDG-UHFFFAOYSA-N 1 1 352.481 2.463 50 30 FEEAMO COc1ccc([C@H]2c3c(-c4ccccc4)[nH+]c(N)n3NC(=O)[C@H]2C#N)cc1 ZINC000409417354 571135389 /nfs/dbraw/zinc/13/53/89/571135389.db2.gz DYXUCRNHNCKTGL-JKSUJKDBSA-N 1 1 359.389 2.496 50 30 FEEAMO C#CCC[NH+]1CCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000058268277 540836386 /nfs/dbraw/zinc/83/63/86/540836386.db2.gz QZMRHLMTWWIHJI-UHFFFAOYSA-N 1 1 354.429 2.409 50 30 FEEAMO CC(C)(O)C#Cc1cccc(C(=O)NC2(C[NH+]3CCOCC3)CCCC2)c1 ZINC000065398329 541236395 /nfs/dbraw/zinc/23/63/95/541236395.db2.gz FRPUNDWRUIJANP-UHFFFAOYSA-N 1 1 370.493 2.184 50 30 FEEAMO Cc1ccc(C#N)c(N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)n1 ZINC000091914711 132204618 /nfs/dbraw/zinc/20/46/18/132204618.db2.gz JLURYLZGWXTRJM-SFHVURJKSA-N 1 1 367.497 2.175 50 30 FEEAMO CCC[C@H]1C[N@H+](C2CCN(C(C)=O)CC2)C[C@@H]1Nc1ncccc1C#N ZINC000091547695 542812549 /nfs/dbraw/zinc/81/25/49/542812549.db2.gz UYSLSLWCLANLNS-HKUYNNGSSA-N 1 1 355.486 2.477 50 30 FEEAMO N#CC1(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C2CC2)CCOCC1 ZINC000091876729 542830065 /nfs/dbraw/zinc/83/00/65/542830065.db2.gz HZAFVVIXXHITOY-MOPGFXCFSA-N 1 1 353.466 2.334 50 30 FEEAMO CCC[NH+]1CCN(C(Nc2ccc(C(=O)[O-])cc2)=[NH+]CCCOC)CC1 ZINC000021046549 519855499 /nfs/dbraw/zinc/85/54/99/519855499.db2.gz JAPXRGMXSXXLKL-UHFFFAOYSA-N 1 1 362.474 2.026 50 30 FEEAMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC000186812310 548199236 /nfs/dbraw/zinc/19/92/36/548199236.db2.gz HAAJUDVWWLZCTK-UHFFFAOYSA-N 1 1 351.406 2.318 50 30 FEEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC000186812310 548199240 /nfs/dbraw/zinc/19/92/40/548199240.db2.gz HAAJUDVWWLZCTK-UHFFFAOYSA-N 1 1 351.406 2.318 50 30 FEEAMO Cc1ccc[n+](-c2[nH]c(=O)sc2C=NNC(=S)Nc2ccccc2)c1 ZINC000013161869 539584090 /nfs/dbraw/zinc/58/40/90/539584090.db2.gz CNLVERKMBLBBJE-UHFFFAOYSA-O 1 1 370.483 2.342 50 30 FEEAMO COc1ccc(OCC[NH+]2CCN(c3nnc(C)c(C)c3C#N)CC2)cc1 ZINC000024054095 539724915 /nfs/dbraw/zinc/72/49/15/539724915.db2.gz NVIKGWFZXUZKII-UHFFFAOYSA-N 1 1 367.453 2.175 50 30 FEEAMO N#Cc1cccc([C@H](C#CC2(O)CCCC2)[NH+]2CCC(C(N)=O)CC2)c1 ZINC000096162839 542994588 /nfs/dbraw/zinc/99/45/88/542994588.db2.gz YUIFJXZQWDQWOS-IBGZPJMESA-N 1 1 351.450 2.105 50 30 FEEAMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000242304995 519809005 /nfs/dbraw/zinc/80/90/05/519809005.db2.gz YTXTWHVHBBVZSB-PMACEKPBSA-N 1 1 354.498 2.298 50 30 FEEAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000104858866 526035350 /nfs/dbraw/zinc/03/53/50/526035350.db2.gz MQPKVVRHFFAPAD-IFXJQAMLSA-N 1 1 352.442 2.069 50 30 FEEAMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000254392293 549700523 /nfs/dbraw/zinc/70/05/23/549700523.db2.gz VTMOMLPRVSRCHJ-UHFFFAOYSA-N 1 1 360.936 2.312 50 30 FEEAMO CCn1cc(C[N@@H+](C)CCNc2cc([C@H]3CCOC3)ncn2)cc1C#N ZINC000299793888 553616010 /nfs/dbraw/zinc/61/60/10/553616010.db2.gz JENWAGVBJYJNAO-INIZCTEOSA-N 1 1 354.458 2.217 50 30 FEEAMO N#Cc1cc2n(n1)CCN(C(=O)N[C@H]1CCC[N@@H+](Cc3cccs3)C1)C2 ZINC000584884328 570713369 /nfs/dbraw/zinc/71/33/69/570713369.db2.gz FEENLUXSHHDBAL-AWEZNQCLSA-N 1 1 370.482 2.006 50 30 FEEAMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)C1CC1 ZINC000007018817 539444984 /nfs/dbraw/zinc/44/49/84/539444984.db2.gz ICTRXFNTLTUTGI-UZLBHIALSA-N 1 1 355.438 2.403 50 30 FEEAMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)C1CC1 ZINC000007018817 539444990 /nfs/dbraw/zinc/44/49/90/539444990.db2.gz ICTRXFNTLTUTGI-UZLBHIALSA-N 1 1 355.438 2.403 50 30 FEEAMO N#Cc1c2c(c(-c3ccco3)nc1N1CC[NH+](CCO)CC1)CCCC2 ZINC000020589444 539675977 /nfs/dbraw/zinc/67/59/77/539675977.db2.gz JZPMEHVJURIBLM-UHFFFAOYSA-N 1 1 352.438 2.206 50 30 FEEAMO N#Cc1cnn2cc(CC[NH+]3CCOCC3)c(-c3ccc(F)cc3)nc12 ZINC000020218639 539673631 /nfs/dbraw/zinc/67/36/31/539673631.db2.gz IRMARSGHUWGXFG-UHFFFAOYSA-N 1 1 351.385 2.282 50 30 FEEAMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000025703089 539766477 /nfs/dbraw/zinc/76/64/77/539766477.db2.gz IPYFGELOQGNVGL-GOSISDBHSA-N 1 1 367.449 2.129 50 30 FEEAMO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N(C)C(C)(C)C#N)CC2)s1 ZINC000051098772 540422696 /nfs/dbraw/zinc/42/26/96/540422696.db2.gz VUKLQJJBYIWGCT-UHFFFAOYSA-N 1 1 362.499 2.011 50 30 FEEAMO N#Cc1ccsc1NC(=O)CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000096833076 209157706 /nfs/dbraw/zinc/15/77/06/209157706.db2.gz NOQUSCBFPILRTH-UHFFFAOYSA-N 1 1 370.478 2.255 50 30 FEEAMO Cc1ccc(C#N)c(N2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)n1 ZINC000091914710 132204737 /nfs/dbraw/zinc/20/47/37/132204737.db2.gz JLURYLZGWXTRJM-GOSISDBHSA-N 1 1 367.497 2.175 50 30 FEEAMO Cc1ccccc1[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[NH+](C)C ZINC000095366106 132208391 /nfs/dbraw/zinc/20/83/91/132208391.db2.gz VHFZWLRZSNFMPJ-HXUWFJFHSA-N 1 1 363.465 2.213 50 30 FEEAMO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020405855 526677499 /nfs/dbraw/zinc/67/74/99/526677499.db2.gz DFLPYMOJQOHVCB-LJQANCHMSA-N 1 1 355.413 2.259 50 30 FEEAMO COc1ccc2c3c1O[C@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C#N)C2 ZINC000252489674 549668834 /nfs/dbraw/zinc/66/88/34/549668834.db2.gz JWGQNJUNBCBJCO-ZDGIKXPOSA-N 1 1 364.445 2.439 50 30 FEEAMO Cc1[nH+]ccn1C[C@@H](O)Cn1c2ccccc2n2c1c(C#N)c(C)cc2=O ZINC000002708655 539351617 /nfs/dbraw/zinc/35/16/17/539351617.db2.gz VISFBHQSVARGBX-OAHLLOKOSA-N 1 1 361.405 2.000 50 30 FEEAMO CCCCCCCN1C(=O)NC(=O)C(=CNCCC[NH+](CC)CC)C1=O ZINC000101240107 209223313 /nfs/dbraw/zinc/22/33/13/209223313.db2.gz PNBFAZXRYMVKAT-NXVVXOECSA-N 1 1 366.506 2.241 50 30 FEEAMO CC(=O)O[C@H]1[C@@H]([C@H](C#N)N(O)Cc2ccccc2)[NH2+][C@@H]2CC(C)(C)C[C@@H]21 ZINC000068569274 541610666 /nfs/dbraw/zinc/61/06/66/541610666.db2.gz ZADMZLKTVVOXQX-ZWJWXYIHSA-N 1 1 357.454 2.478 50 30 FEEAMO CNC(=O)[C@@H]1C[C@@H](Nc2ncccc2C#N)C[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000096150621 209124352 /nfs/dbraw/zinc/12/43/52/209124352.db2.gz LTECJPQHUHAOIA-MJGOQNOKSA-N 1 1 374.448 2.236 50 30 FEEAMO CNC(=O)[C@@H]1C[C@@H](Nc2ncccc2C#N)C[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000096150621 209124356 /nfs/dbraw/zinc/12/43/56/209124356.db2.gz LTECJPQHUHAOIA-MJGOQNOKSA-N 1 1 374.448 2.236 50 30 FEEAMO N#Cc1ccnc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071419260 136139106 /nfs/dbraw/zinc/13/91/06/136139106.db2.gz UUAVXUDLVUCXSQ-SFHVURJKSA-N 1 1 367.497 2.256 50 30 FEEAMO COc1cccc(C[N@@H+]2CCN(c3nc(C)ccc3C#N)C[C@H]2CCO)c1 ZINC000072457588 136148721 /nfs/dbraw/zinc/14/87/21/136148721.db2.gz NBFLEEPYMMXUSK-LJQANCHMSA-N 1 1 366.465 2.344 50 30 FEEAMO COc1cccc(C[N@H+]2CCN(c3nc(C)ccc3C#N)C[C@H]2CCO)c1 ZINC000072457588 136148722 /nfs/dbraw/zinc/14/87/22/136148722.db2.gz NBFLEEPYMMXUSK-LJQANCHMSA-N 1 1 366.465 2.344 50 30 FEEAMO COc1cc(NC(=S)NCCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000013521115 522630881 /nfs/dbraw/zinc/63/08/81/522630881.db2.gz KDYPMLNJJJBVCE-UHFFFAOYSA-N 1 1 369.487 2.132 50 30 FEEAMO COc1ccc(C(=[NH2+])NOC(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000004171321 523768196 /nfs/dbraw/zinc/76/81/96/523768196.db2.gz CJNDABQZASUREJ-UHFFFAOYSA-N 1 1 360.366 2.198 50 30 biogenic FEEAMO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[N@H+]3CCCC[C@H]3CO)C(=O)O[C@@H]1C2 ZINC000252695146 525347260 /nfs/dbraw/zinc/34/72/60/525347260.db2.gz VQSWXEJDECKEJC-QPZSCLIPSA-N 1 1 363.498 2.360 50 30 FEEAMO N#Cc1cccnc1N[C@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1C1CC1 ZINC000091656664 526755028 /nfs/dbraw/zinc/75/50/28/526755028.db2.gz SGVRLYSIMWKLFV-MSOLQXFVSA-N 1 1 353.470 2.088 50 30 FEEAMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCc1ccn(C)n1 ZINC000329514584 553960769 /nfs/dbraw/zinc/96/07/69/553960769.db2.gz LXRSWUKYBQSYFS-KRWDZBQOSA-N 1 1 355.486 2.473 50 30 FEEAMO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2ccc(C(=O)OCC)n2)c1 ZINC000075136813 542155620 /nfs/dbraw/zinc/15/56/20/542155620.db2.gz SBEZTBMXKVWJAZ-SFHVURJKSA-N 1 1 366.421 2.085 50 30 FEEAMO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2ccc(C(=O)OCC)n2)c1 ZINC000075136813 542155621 /nfs/dbraw/zinc/15/56/21/542155621.db2.gz SBEZTBMXKVWJAZ-SFHVURJKSA-N 1 1 366.421 2.085 50 30 FEEAMO COc1c2c(cc3c1[C@@H](C/C(CCn1cccn1)=N/O)[N@@H+](C)CC3)OCO2 ZINC000036025450 207260922 /nfs/dbraw/zinc/26/09/22/207260922.db2.gz QGFSLBRAWVJUHB-HFITWMCCSA-N 1 1 372.425 2.460 50 30 FEEAMO CCOc1ccccc1C[N@@H+]1CCN(c2ccc(C#N)cn2)C[C@H]1CCO ZINC000106957560 132265927 /nfs/dbraw/zinc/26/59/27/132265927.db2.gz XWIJOVWRVOKBOK-LJQANCHMSA-N 1 1 366.465 2.425 50 30 FEEAMO CCOc1ccccc1C[N@H+]1CCN(c2ccc(C#N)cn2)C[C@H]1CCO ZINC000106957560 132265929 /nfs/dbraw/zinc/26/59/29/132265929.db2.gz XWIJOVWRVOKBOK-LJQANCHMSA-N 1 1 366.465 2.425 50 30 FEEAMO C=CCN1CC[C@]2(CN(Cc3ccc(CC)cn3)CC[N@H+]2C)CCC1=O ZINC000092036875 542840632 /nfs/dbraw/zinc/84/06/32/542840632.db2.gz JYIVXSJXFLDAAC-NRFANRHFSA-N 1 1 356.514 2.329 50 30 FEEAMO Cc1ccc2cc(C[NH+]3CCN(c4ncccc4C#N)CC3)c(=O)[nH]c2c1 ZINC000065488062 136136466 /nfs/dbraw/zinc/13/64/66/136136466.db2.gz CLNCXQPURMQNHX-UHFFFAOYSA-N 1 1 359.433 2.425 50 30 FEEAMO Cc1ccc(C#N)c(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071405881 136138992 /nfs/dbraw/zinc/13/89/92/136138992.db2.gz BBCWEGDHUIWMSB-QGZVFWFLSA-N 1 1 367.497 2.221 50 30 FEEAMO COCC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000096000130 542986946 /nfs/dbraw/zinc/98/69/46/542986946.db2.gz YQCKVAOLPNGHOM-MRXNPFEDSA-N 1 1 370.428 2.365 50 30 FEEAMO COCC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000096000130 542986949 /nfs/dbraw/zinc/98/69/49/542986949.db2.gz YQCKVAOLPNGHOM-MRXNPFEDSA-N 1 1 370.428 2.365 50 30 FEEAMO CC(C)(O)C#Cc1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)o1 ZINC000218011359 548683621 /nfs/dbraw/zinc/68/36/21/548683621.db2.gz WUKCCKHESKSJCW-UHFFFAOYSA-N 1 1 352.434 2.190 50 30 FEEAMO CC(C)(O)C#Cc1ccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)o1 ZINC000218011359 548683626 /nfs/dbraw/zinc/68/36/26/548683626.db2.gz WUKCCKHESKSJCW-UHFFFAOYSA-N 1 1 352.434 2.190 50 30 FEEAMO CC(=NOCc1ccccc1)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000254913933 549701945 /nfs/dbraw/zinc/70/19/45/549701945.db2.gz ZVXYHEDQKCEMAC-UHFFFAOYSA-N 1 1 373.478 2.221 50 30 FEEAMO CN(Cc1cc(C#N)ccc1F)C(=O)C[N@@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000083862028 571054522 /nfs/dbraw/zinc/05/45/22/571054522.db2.gz RBYNHFKUJAHNFK-QGZVFWFLSA-N 1 1 368.412 2.204 50 30 FEEAMO CN(Cc1cc(C#N)ccc1F)C(=O)C[N@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000083862028 571054525 /nfs/dbraw/zinc/05/45/25/571054525.db2.gz RBYNHFKUJAHNFK-QGZVFWFLSA-N 1 1 368.412 2.204 50 30 FEEAMO C=CCNC(=O)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908025 539702275 /nfs/dbraw/zinc/70/22/75/539702275.db2.gz ZQUIIWFXFPDZOZ-QGZVFWFLSA-N 1 1 369.490 2.266 50 30 FEEAMO C=CCNC(=O)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908025 539702280 /nfs/dbraw/zinc/70/22/80/539702280.db2.gz ZQUIIWFXFPDZOZ-QGZVFWFLSA-N 1 1 369.490 2.266 50 30 FEEAMO C=C[C@](C)(CO)[N@H+]1CCCN(c2ccc(NC(=O)c3ccco3)cn2)CC1 ZINC000034682334 539976686 /nfs/dbraw/zinc/97/66/86/539976686.db2.gz WPYDAPIVBLYNBB-HXUWFJFHSA-N 1 1 370.453 2.376 50 30 FEEAMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058249067 540835685 /nfs/dbraw/zinc/83/56/85/540835685.db2.gz RHPHOYVYFLXRPW-NTDBWNAOSA-N 1 1 371.481 2.426 50 30 FEEAMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058249067 540835687 /nfs/dbraw/zinc/83/56/87/540835687.db2.gz RHPHOYVYFLXRPW-NTDBWNAOSA-N 1 1 371.481 2.426 50 30 FEEAMO N#CC1(c2ccccc2)CCN(c2nc(N3CCC[C@H](O)C3)cc[nH+]2)CC1 ZINC000065525865 541243188 /nfs/dbraw/zinc/24/31/88/541243188.db2.gz VREKGUNKSHXCMC-SFHVURJKSA-N 1 1 363.465 2.499 50 30 FEEAMO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000095378809 209039225 /nfs/dbraw/zinc/03/92/25/209039225.db2.gz FSOHKIPFDRHGLG-GOSISDBHSA-N 1 1 361.453 2.311 50 30 FEEAMO N#Cc1cccc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071730320 136139858 /nfs/dbraw/zinc/13/98/58/136139858.db2.gz AEWFCGGPMNVFHT-QGZVFWFLSA-N 1 1 367.497 2.256 50 30 FEEAMO CCC[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1NC(=O)C1(C#N)CCOCC1 ZINC000091997162 521221008 /nfs/dbraw/zinc/22/10/08/521221008.db2.gz DQDKOTSNNRLBEQ-ROUUACIJSA-N 1 1 356.470 2.119 50 30 FEEAMO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000072952783 525736851 /nfs/dbraw/zinc/73/68/51/525736851.db2.gz SLTSERDVHMBIKL-PXNSSMCTSA-N 1 1 357.454 2.182 50 30 FEEAMO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000072952783 525736862 /nfs/dbraw/zinc/73/68/62/525736862.db2.gz SLTSERDVHMBIKL-PXNSSMCTSA-N 1 1 357.454 2.182 50 30 FEEAMO Cc1c(C[N@@H+](C)CCNc2cc([C@@H]3CCOC3)ncn2)cc(C#N)n1C ZINC000299796618 553615872 /nfs/dbraw/zinc/61/58/72/553615872.db2.gz NHBMODHSPHSBRX-OAHLLOKOSA-N 1 1 354.458 2.043 50 30 FEEAMO CCn1cc(C[N@@H+](C)CCNc2cc([C@@H]3CCOC3)ncn2)cc1C#N ZINC000299793898 553615945 /nfs/dbraw/zinc/61/59/45/553615945.db2.gz JENWAGVBJYJNAO-MRXNPFEDSA-N 1 1 354.458 2.217 50 30 FEEAMO Cc1[nH+]ccn1CCCN1C(=O)C(=Cc2ccc(C#N)cc2)NC1=S ZINC000103832430 570852706 /nfs/dbraw/zinc/85/27/06/570852706.db2.gz LBBDQBVYJZTWML-LFIBNONCSA-N 1 1 351.435 2.211 50 30 FEEAMO CCOC(=O)C(=NNc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000254350353 672880027 /nfs/dbraw/zinc/88/00/27/672880027.db2.gz PZTABEZLRXGXSV-UHFFFAOYSA-N 1 1 358.364 2.241 50 30 FEEAMO CC[N@@H+]1CCc2c(C#N)c(N3CCOCC3)nc(N3CCCCC3)c2C1 ZINC000013763862 539591582 /nfs/dbraw/zinc/59/15/82/539591582.db2.gz WLDRXQLOCIDSSH-UHFFFAOYSA-N 1 1 355.486 2.158 50 30 FEEAMO CC[N@H+]1CCc2c(C#N)c(N3CCOCC3)nc(N3CCCCC3)c2C1 ZINC000013763862 539591588 /nfs/dbraw/zinc/59/15/88/539591588.db2.gz WLDRXQLOCIDSSH-UHFFFAOYSA-N 1 1 355.486 2.158 50 30 FEEAMO C=CCN1CC[C@]2(CN(C(=O)N(C)c3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091644967 542817941 /nfs/dbraw/zinc/81/79/41/542817941.db2.gz IZKKENYTPAZEIS-NRFANRHFSA-N 1 1 370.497 2.428 50 30 FEEAMO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)C1CC1 ZINC000252444169 525134738 /nfs/dbraw/zinc/13/47/38/525134738.db2.gz ICTRXFNTLTUTGI-OXJNMPFZSA-N 1 1 355.438 2.403 50 30 FEEAMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)C1CC1 ZINC000252444169 525134750 /nfs/dbraw/zinc/13/47/50/525134750.db2.gz ICTRXFNTLTUTGI-OXJNMPFZSA-N 1 1 355.438 2.403 50 30 FEEAMO Cn1cc[nH+]c1N1CCC(NC(=O)CN2C(=O)CCc3ccccc32)CC1 ZINC000328739669 553814915 /nfs/dbraw/zinc/81/49/15/553814915.db2.gz IAZJDSUYCLSQET-UHFFFAOYSA-N 1 1 367.453 2.325 50 30 FEEAMO C=C(C)C[NH2+]Cc1ccc(OC[C@H](O)CN2CCSCC2)c(OC)c1 ZINC000014979911 670010206 /nfs/dbraw/zinc/01/02/06/670010206.db2.gz UKPPGXQDOWGLKD-QGZVFWFLSA-N 1 1 366.527 2.149 50 30 FEEAMO CCCCCCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000048520863 540365915 /nfs/dbraw/zinc/36/59/15/540365915.db2.gz AOYNZVLZULGWHN-ZDUSSCGKSA-N 1 1 360.462 2.161 50 30 FEEAMO C[C@@H]1C[N@H+](CC2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000058227384 540835270 /nfs/dbraw/zinc/83/52/70/540835270.db2.gz KXKVYXKHFKIGQI-CALCHBBNSA-N 1 1 370.497 2.318 50 30 FEEAMO Cc1cc(C)n(CC[N@H+]2CCCN(C(=O)c3cccc(C#N)c3)CC2)n1 ZINC000075162637 208193393 /nfs/dbraw/zinc/19/33/93/208193393.db2.gz MPBVWRBANDBAOZ-UHFFFAOYSA-N 1 1 351.454 2.220 50 30 FEEAMO COc1ccc(C(=O)NCC#CC[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000075164999 208194908 /nfs/dbraw/zinc/19/49/08/208194908.db2.gz PEDXYEIZFXUDGL-UHFFFAOYSA-N 1 1 364.445 2.495 50 30 FEEAMO COc1ccc(C(=O)NCC#CC[N@H+]2CCc3ccccc3C2)cc1OC ZINC000075164999 208194914 /nfs/dbraw/zinc/19/49/14/208194914.db2.gz PEDXYEIZFXUDGL-UHFFFAOYSA-N 1 1 364.445 2.495 50 30 FEEAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(c3ncccc3C#N)C2)n1C ZINC000095384954 132209887 /nfs/dbraw/zinc/20/98/87/132209887.db2.gz DAILLKJKBCKFIF-INIZCTEOSA-N 1 1 362.441 2.019 50 30 FEEAMO C=CCN1CC[C@@]2(CN(Cc3cccc(OC)c3)CC[N@H+]2C)CCC1=O ZINC000107404764 543270341 /nfs/dbraw/zinc/27/03/41/543270341.db2.gz LYOWBSYSXBSBET-OAQYLSRUSA-N 1 1 357.498 2.380 50 30 FEEAMO CCOc1ccccc1S(=O)(=O)NCC#CC[N@@H+](C)Cc1ccccc1 ZINC000085470677 521571076 /nfs/dbraw/zinc/57/10/76/521571076.db2.gz FERKDOYFLVCDHB-UHFFFAOYSA-N 1 1 372.490 2.499 50 30 FEEAMO C[NH+](C)[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(F)c1 ZINC000091604618 522005110 /nfs/dbraw/zinc/00/51/10/522005110.db2.gz HBHBSTDXRDACFX-GOSISDBHSA-N 1 1 367.428 2.044 50 30 FEEAMO C[N@H+]1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 ZINC000230071193 523905157 /nfs/dbraw/zinc/90/51/57/523905157.db2.gz PYQHUAKAECCZRV-IRLDBZIGSA-N 1 1 365.477 2.481 50 30 FEEAMO CN1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 ZINC000230071193 523905161 /nfs/dbraw/zinc/90/51/61/523905161.db2.gz PYQHUAKAECCZRV-IRLDBZIGSA-N 1 1 365.477 2.481 50 30 FEEAMO CN1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 ZINC000230071193 523905169 /nfs/dbraw/zinc/90/51/69/523905169.db2.gz PYQHUAKAECCZRV-IRLDBZIGSA-N 1 1 365.477 2.481 50 30 FEEAMO C=CCn1c(C[N@@H+]2CCC[C@@H](c3nnc(CO)n3C)C2)nc2ccccc21 ZINC000215543789 548673309 /nfs/dbraw/zinc/67/33/09/548673309.db2.gz KNBNSGCVQHYYHT-OAHLLOKOSA-N 1 1 366.469 2.223 50 30 FEEAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCSC[C@H]3C#N)cc2)C[C@H](C)O1 ZINC000108162762 209285043 /nfs/dbraw/zinc/28/50/43/209285043.db2.gz PAURRBJAQBJUQW-RVKKMQEKSA-N 1 1 359.495 2.377 50 30 FEEAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCSC[C@H]3C#N)cc2)C[C@H](C)O1 ZINC000108162762 209285046 /nfs/dbraw/zinc/28/50/46/209285046.db2.gz PAURRBJAQBJUQW-RVKKMQEKSA-N 1 1 359.495 2.377 50 30 FEEAMO N#Cc1cc2c(ccn(CC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2=O)[nH]c1=O ZINC000067562080 541480881 /nfs/dbraw/zinc/48/08/81/541480881.db2.gz VSNMSDHXDLMQRO-KRWDZBQOSA-N 1 1 374.444 2.474 50 30 FEEAMO COc1ccc(C[N@H+]2CCN(c3cccc(C#N)n3)C[C@H]2CCO)cc1C ZINC000106946735 132266093 /nfs/dbraw/zinc/26/60/93/132266093.db2.gz LRNLSJDPXYIZPT-LJQANCHMSA-N 1 1 366.465 2.344 50 30 FEEAMO N#Cc1c(N)nc(NCCC[NH+]2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000214079467 526526317 /nfs/dbraw/zinc/52/63/17/526526317.db2.gz FPVPLMDKHBEMOF-UHFFFAOYSA-N 1 1 372.860 2.385 50 30 FEEAMO [NH2+]=C(NOC(=O)CCn1cccc(C(F)(F)F)c1=O)c1ccccc1 ZINC000004394721 526808446 /nfs/dbraw/zinc/80/84/46/526808446.db2.gz KZSLUBXFKXEKSI-UHFFFAOYSA-N 1 1 353.300 2.121 50 30 FEEAMO Cc1noc([C@]23CN(c4ccc(Cl)c(C#N)n4)C[C@H]2C[N@@H+](C)CC3)n1 ZINC000685940619 571100180 /nfs/dbraw/zinc/10/01/80/571100180.db2.gz QBCOKTLGRBXZEA-SJKOYZFVSA-N 1 1 358.833 2.008 50 30 FEEAMO COc1ccc([C@@H]2c3c(-c4ccccc4)[nH+]c(N)n3NC(=O)[C@@H]2C#N)cc1 ZINC000409417351 571135582 /nfs/dbraw/zinc/13/55/82/571135582.db2.gz DYXUCRNHNCKTGL-CVEARBPZSA-N 1 1 359.389 2.496 50 30 FEEAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCCC[C@@H]4CO)[C@H]3[C@@H]3O[C@]312 ZINC000004028563 539375406 /nfs/dbraw/zinc/37/54/06/539375406.db2.gz WVSCSEOKEKFLHB-GNFKLFASSA-N 1 1 363.498 2.359 50 30 biogenic FEEAMO CCn1cc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)cc1C#N ZINC000077319079 542366761 /nfs/dbraw/zinc/36/67/61/542366761.db2.gz UUXAKTMAWKCAHA-FQEVSTJZSA-N 1 1 358.486 2.231 50 30 FEEAMO COC(=O)c1cc(C#N)c(N2CCC[C@H](Cn3cc[nH+]c3C)C2)nc1C ZINC000077554486 132189088 /nfs/dbraw/zinc/18/90/88/132189088.db2.gz HSQXHEZCEWFJGB-OAHLLOKOSA-N 1 1 353.426 2.470 50 30 FEEAMO N#CC1(C(=O)N[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C2CC2)CCOCC1 ZINC000091746995 542823693 /nfs/dbraw/zinc/82/36/93/542823693.db2.gz BSECBOATPQUMLJ-SJORKVTESA-N 1 1 359.495 2.395 50 30 FEEAMO CCn1cc(C[NH+]2CCN(c3ccc(C(=O)OC)cc3)CC2)cc1C#N ZINC000072458386 136148665 /nfs/dbraw/zinc/14/86/65/136148665.db2.gz BOGQZVOSKKLXGK-UHFFFAOYSA-N 1 1 352.438 2.488 50 30 FEEAMO C#CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000058423722 518271770 /nfs/dbraw/zinc/27/17/70/518271770.db2.gz AMDCDXRWTMEAHB-CQSZACIVSA-N 1 1 355.360 2.127 50 30 FEEAMO C#CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000058423722 518271777 /nfs/dbraw/zinc/27/17/77/518271777.db2.gz AMDCDXRWTMEAHB-CQSZACIVSA-N 1 1 355.360 2.127 50 30 FEEAMO C#CCOC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103579 518312359 /nfs/dbraw/zinc/31/23/59/518312359.db2.gz XWLVVUDKWLSIKN-LJQANCHMSA-N 1 1 353.418 2.428 50 30 FEEAMO COc1cc(OC)cc(C(=O)ONC(=[NH2+])c2ccc(OC)c(OC)c2)c1 ZINC000004802586 522859218 /nfs/dbraw/zinc/85/92/18/522859218.db2.gz AKJACSMVZBOXGQ-UHFFFAOYSA-N 1 1 360.366 2.198 50 30 FEEAMO C=C(C)COc1ccc2c(C)c(CC(=O)N3CC[NH+](C)CC3)c(=O)oc2c1 ZINC000013624028 210144485 /nfs/dbraw/zinc/14/44/85/210144485.db2.gz CZQMVTXPYJLJCO-UHFFFAOYSA-N 1 1 370.449 2.373 50 30 FEEAMO N#CC1(NC(=O)CN2CCC[N@@H+](Cc3ccccc3F)CC2)CCCC1 ZINC000058208795 540833340 /nfs/dbraw/zinc/83/33/40/540833340.db2.gz HOVVIWBRBVYVSK-UHFFFAOYSA-N 1 1 358.461 2.286 50 30 FEEAMO N#CC1(NC(=O)CN2CCC[N@H+](Cc3ccccc3F)CC2)CCCC1 ZINC000058208795 540833344 /nfs/dbraw/zinc/83/33/44/540833344.db2.gz HOVVIWBRBVYVSK-UHFFFAOYSA-N 1 1 358.461 2.286 50 30 FEEAMO C=C(C)COc1ccccc1CN1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000067804492 541515209 /nfs/dbraw/zinc/51/52/09/541515209.db2.gz GMGOCIOXQBLMNR-UHFFFAOYSA-N 1 1 357.498 2.428 50 30 FEEAMO C=C(C)COc1ccccc1C[NH+]1CCC2(CC1)C(=O)NCCCN2C ZINC000067804492 541515213 /nfs/dbraw/zinc/51/52/13/541515213.db2.gz GMGOCIOXQBLMNR-UHFFFAOYSA-N 1 1 357.498 2.428 50 30 FEEAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CCCC[C@@H]4CO)[C@H]3[C@@H]3O[C@]312 ZINC000012659881 220017345 /nfs/dbraw/zinc/01/73/45/220017345.db2.gz WVSCSEOKEKFLHB-ZZGYJPPQSA-N 1 1 363.498 2.359 50 30 FEEAMO N#Cc1ccccc1OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014196763 211083922 /nfs/dbraw/zinc/08/39/22/211083922.db2.gz KAXAGRDNJUSIRR-UHFFFAOYSA-N 1 1 357.454 2.088 50 30 FEEAMO CC(C)CC[N@H+]1CCN(Cc2ccc(C#CCCO)cc2)C[C@H]1CCO ZINC000036385828 519653717 /nfs/dbraw/zinc/65/37/17/519653717.db2.gz NKCOFRUZBNJNAS-JOCHJYFZSA-N 1 1 358.526 2.335 50 30 FEEAMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000092617317 519788613 /nfs/dbraw/zinc/78/86/13/519788613.db2.gz YTXTWHVHBBVZSB-WOJBJXKFSA-N 1 1 354.498 2.298 50 30 FEEAMO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000058210090 519828968 /nfs/dbraw/zinc/82/89/68/519828968.db2.gz AMWRYMWBLJTZOI-FQEVSTJZSA-N 1 1 360.477 2.388 50 30 FEEAMO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000058210090 519828969 /nfs/dbraw/zinc/82/89/69/519828969.db2.gz AMWRYMWBLJTZOI-FQEVSTJZSA-N 1 1 360.477 2.388 50 30 FEEAMO COc1cccc(S(=O)(=O)NCC#CC[N@@H+](C)Cc2ccccc2)c1 ZINC000085470673 526244466 /nfs/dbraw/zinc/24/44/66/526244466.db2.gz OEANERMUDCRORA-UHFFFAOYSA-N 1 1 358.463 2.109 50 30 FEEAMO C#CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000248168673 549414653 /nfs/dbraw/zinc/41/46/53/549414653.db2.gz QDQJSSPCZBFLIG-DNVCBOLYSA-N 1 1 361.436 2.395 50 30 FEEAMO C#CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000248168673 549414656 /nfs/dbraw/zinc/41/46/56/549414656.db2.gz QDQJSSPCZBFLIG-DNVCBOLYSA-N 1 1 361.436 2.395 50 30 FEEAMO C=CCN1CC[C@@]2(CN(Cc3ccc(OC)c(O)c3)CC[N@H+]2C)CCC1=O ZINC000108013486 210140334 /nfs/dbraw/zinc/14/03/34/210140334.db2.gz ZHAJCYUZZKUYQB-OAQYLSRUSA-N 1 1 373.497 2.086 50 30 FEEAMO C=CC[C@@]1(CO)CCC[N@H+](Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000091998054 210073100 /nfs/dbraw/zinc/07/31/00/210073100.db2.gz UAYILQCQUAXTHI-GOSISDBHSA-N 1 1 352.862 2.355 50 30 FEEAMO C=CCN1CC[C@]2(CN(C(=O)NCc3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000091691571 210073579 /nfs/dbraw/zinc/07/35/79/210073579.db2.gz RAJWJJIANCFWCU-NRFANRHFSA-N 1 1 370.497 2.081 50 30 FEEAMO C=C(C)C[N@H+](C)C[C@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O ZINC000067489670 541470644 /nfs/dbraw/zinc/47/06/44/541470644.db2.gz XVGQDUUDNLBOQH-HXUWFJFHSA-N 1 1 362.470 2.065 50 30 FEEAMO COc1c2c(cc3c1[C@H](C/C(CCn1cccn1)=N/O)[N@@H+](C)CC3)OCO2 ZINC000033918679 220751512 /nfs/dbraw/zinc/75/15/12/220751512.db2.gz QGFSLBRAWVJUHB-HBBMIWKISA-N 1 1 372.425 2.460 50 30 FEEAMO N#Cc1cccc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071730319 136139875 /nfs/dbraw/zinc/13/98/75/136139875.db2.gz AEWFCGGPMNVFHT-KRWDZBQOSA-N 1 1 367.497 2.256 50 30 FEEAMO C[N@@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)C2=CC(=O)CC(C)(C)O2)C1 ZINC000011668046 522964172 /nfs/dbraw/zinc/96/41/72/522964172.db2.gz SQOZSCFOIFMDTQ-KRWDZBQOSA-N 1 1 371.481 2.199 50 30 FEEAMO COC(=O)[C@@H](C)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000106176859 523505764 /nfs/dbraw/zinc/50/57/64/523505764.db2.gz GSPTWXMEHZSEDY-MGPUTAFESA-N 1 1 357.454 2.106 50 30 FEEAMO N#Cc1ccc(N2CC[C@H](N3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)C2=O)cc1 ZINC000252549666 549673852 /nfs/dbraw/zinc/67/38/52/549673852.db2.gz RPEDYSZQWSRKQG-LEAZDLGRSA-N 1 1 350.466 2.080 50 30 FEEAMO N#Cc1ccnc(-c2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3CO)cc2)c1 ZINC000426485777 559735519 /nfs/dbraw/zinc/73/55/19/559735519.db2.gz PJNAARQJXNYZBK-LJQANCHMSA-N 1 1 364.449 2.197 50 30 FEEAMO C[C@H](CC[NH+]1CCOCC1)NC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000426443482 571225865 /nfs/dbraw/zinc/22/58/65/571225865.db2.gz WZENCEAQCZASLJ-GOSISDBHSA-N 1 1 370.497 2.364 50 30 FEEAMO N#Cc1ccc(NC(=O)CC[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000060090318 212017912 /nfs/dbraw/zinc/01/79/12/212017912.db2.gz QWZBHAMSPIKOLP-IBGZPJMESA-N 1 1 362.433 2.450 50 30 FEEAMO Cn1c(Cn2cccn2)nnc1[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000091871803 542830610 /nfs/dbraw/zinc/83/06/10/542830610.db2.gz CBTVIFAYPDRSBJ-SFHVURJKSA-N 1 1 361.453 2.311 50 30 FEEAMO COc1ccc(C[N@H+]2CCN(c3cccc(C#N)n3)C[C@@H]2CCO)cc1C ZINC000072432317 136146929 /nfs/dbraw/zinc/14/69/29/136146929.db2.gz LRNLSJDPXYIZPT-IBGZPJMESA-N 1 1 366.465 2.344 50 30 FEEAMO Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000095378810 542964612 /nfs/dbraw/zinc/96/46/12/542964612.db2.gz FSOHKIPFDRHGLG-SFHVURJKSA-N 1 1 361.453 2.311 50 30 FEEAMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106152823 222383154 /nfs/dbraw/zinc/38/31/54/222383154.db2.gz RHPHOYVYFLXRPW-VXNCWWDNSA-N 1 1 371.481 2.426 50 30 FEEAMO COc1ccc(C(=[NH2+])NOC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000005073113 263338835 /nfs/dbraw/zinc/33/88/35/263338835.db2.gz IEQLZLBIYKFANY-UHFFFAOYSA-N 1 1 359.338 2.398 50 30 FEEAMO COc1nccc(N2CC[N@@H+](CCc3ccccc3)[C@H](CCO)C2)c1C#N ZINC000072423416 537145878 /nfs/dbraw/zinc/14/58/78/537145878.db2.gz UFYJKOCDOCZEJB-GOSISDBHSA-N 1 1 366.465 2.078 50 30 FEEAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cccc(-c2ccc(C#N)nc2)c1 ZINC000534648567 562539226 /nfs/dbraw/zinc/53/92/26/562539226.db2.gz VORJETASYKYQOC-OALUTQOASA-N 1 1 350.422 2.069 50 30 FEEAMO COc1cccc([C@@H](CNS(=O)(=O)c2cccc(C#N)c2)[NH+](C)C)c1 ZINC000010091263 210233767 /nfs/dbraw/zinc/23/37/67/210233767.db2.gz SDTJMJUGFPTTPO-GOSISDBHSA-N 1 1 359.451 2.148 50 30 FEEAMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000064120432 212037366 /nfs/dbraw/zinc/03/73/66/212037366.db2.gz CFCUVQQJLWWLBR-ZIAGYGMSSA-N 1 1 358.486 2.033 50 30 FEEAMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000058249073 212000332 /nfs/dbraw/zinc/00/03/32/212000332.db2.gz RHPHOYVYFLXRPW-MTNOOBJLSA-N 1 1 371.481 2.426 50 30 FEEAMO CNC(=O)CC[N@@H+](C)Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000065370770 221204682 /nfs/dbraw/zinc/20/46/82/221204682.db2.gz FTXDLLKCJSTSIB-UHFFFAOYSA-N 1 1 350.422 2.378 50 30 FEEAMO C=C(C)C[NH+]1CCN(c2ccc(N3C(=O)CCCC3=O)cc2[N+](=O)[O-])CC1 ZINC000058102171 132303641 /nfs/dbraw/zinc/30/36/41/132303641.db2.gz ZZIXWWWTWWGUHA-UHFFFAOYSA-N 1 1 372.425 2.336 50 30 FEEAMO Cc1ccc(C#N)c(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071405880 136139047 /nfs/dbraw/zinc/13/90/47/136139047.db2.gz BBCWEGDHUIWMSB-KRWDZBQOSA-N 1 1 367.497 2.221 50 30 FEEAMO C[N@H+]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 ZINC000225366182 523906880 /nfs/dbraw/zinc/90/68/80/523906880.db2.gz PYQHUAKAECCZRV-RBBKRZOGSA-N 1 1 365.477 2.481 50 30 FEEAMO CN1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 ZINC000225366182 523906885 /nfs/dbraw/zinc/90/68/85/523906885.db2.gz PYQHUAKAECCZRV-RBBKRZOGSA-N 1 1 365.477 2.481 50 30 FEEAMO CN1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 ZINC000225366182 523906891 /nfs/dbraw/zinc/90/68/91/523906891.db2.gz PYQHUAKAECCZRV-RBBKRZOGSA-N 1 1 365.477 2.481 50 30 FEEAMO N#CC1(c2ccccc2)CCN(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)CC1 ZINC000426485634 559735505 /nfs/dbraw/zinc/73/55/05/559735505.db2.gz MGUCKPGUIWJLGD-LJQANCHMSA-N 1 1 370.497 2.100 50 30 FEEAMO Cn1c(Cn2cccn2)nnc1[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000091871801 542830222 /nfs/dbraw/zinc/83/02/22/542830222.db2.gz CBTVIFAYPDRSBJ-GOSISDBHSA-N 1 1 361.453 2.311 50 30 FEEAMO CC(C)C[N@H+]1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@H]1CCO ZINC000104448856 222356896 /nfs/dbraw/zinc/35/68/96/222356896.db2.gz GWJWKHBCSBIDAQ-OAQYLSRUSA-N 1 1 358.526 2.334 50 30 FEEAMO Cc1cccc(N2CC[NH+](CCNC(=O)N3CCC(C#N)CC3)CC2)c1 ZINC000058304572 524555027 /nfs/dbraw/zinc/55/50/27/524555027.db2.gz UTTOXYYFKVZSRD-UHFFFAOYSA-N 1 1 355.486 2.062 50 30 FEEAMO C=CCN1CC[C@@]2(C[N@@H+](C3Cc4ccccc4C3)CCN2C)CCC1=O ZINC000107648725 210139180 /nfs/dbraw/zinc/13/91/80/210139180.db2.gz NYPNDSWFAKXPMW-JOCHJYFZSA-N 1 1 353.510 2.339 50 30 FEEAMO C=CCN1CC[C@@]2(CN(C3Cc4ccccc4C3)CC[N@H+]2C)CCC1=O ZINC000107648725 210139183 /nfs/dbraw/zinc/13/91/83/210139183.db2.gz NYPNDSWFAKXPMW-JOCHJYFZSA-N 1 1 353.510 2.339 50 30 FEEAMO C=CCN1CC[C@@]2(CN(C3Cc4ccccc4C3)CC[N@@H+]2C)CCC1=O ZINC000107648725 210139187 /nfs/dbraw/zinc/13/91/87/210139187.db2.gz NYPNDSWFAKXPMW-JOCHJYFZSA-N 1 1 353.510 2.339 50 30 FEEAMO C=CC[N@@H+](C)Cc1ccc(OC[C@H](O)CN2CCSCC2)c(OC)c1 ZINC000095501699 210085648 /nfs/dbraw/zinc/08/56/48/210085648.db2.gz NMLLWACBHFKCNG-QGZVFWFLSA-N 1 1 366.527 2.102 50 30 FEEAMO C=CC[N@H+](C)Cc1ccc(OC[C@H](O)CN2CCSCC2)c(OC)c1 ZINC000095501699 210085654 /nfs/dbraw/zinc/08/56/54/210085654.db2.gz NMLLWACBHFKCNG-QGZVFWFLSA-N 1 1 366.527 2.102 50 30 FEEAMO COC(C[N@@H+](C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@@H]21)OC ZINC000061992824 221137940 /nfs/dbraw/zinc/13/79/40/221137940.db2.gz VDNOZODENXPGDB-AARGWZFMSA-N 1 1 367.486 2.063 50 30 FEEAMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000065674712 221236301 /nfs/dbraw/zinc/23/63/01/221236301.db2.gz CFCUVQQJLWWLBR-KGLIPLIRSA-N 1 1 358.486 2.033 50 30 FEEAMO CCOc1ccccc1C[N@@H+]1CCN(c2ncccc2C#N)C[C@H]1CCO ZINC000107012892 132266537 /nfs/dbraw/zinc/26/65/37/132266537.db2.gz DHMLHECOQXDINQ-LJQANCHMSA-N 1 1 366.465 2.425 50 30 FEEAMO CCOc1ccccc1C[N@H+]1CCN(c2ncccc2C#N)C[C@H]1CCO ZINC000107012892 132266538 /nfs/dbraw/zinc/26/65/38/132266538.db2.gz DHMLHECOQXDINQ-LJQANCHMSA-N 1 1 366.465 2.425 50 30 FEEAMO N#CC1(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000091604310 542815396 /nfs/dbraw/zinc/81/53/96/542815396.db2.gz ZJWHMIBXLSXGRK-RTBURBONSA-N 1 1 353.466 2.430 50 30 FEEAMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)COc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000106152884 222384077 /nfs/dbraw/zinc/38/40/77/222384077.db2.gz GEBAHYTVBFVZJW-SOLBZPMBSA-N 1 1 357.454 2.037 50 30 FEEAMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)COc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000106152884 222384080 /nfs/dbraw/zinc/38/40/80/222384080.db2.gz GEBAHYTVBFVZJW-SOLBZPMBSA-N 1 1 357.454 2.037 50 30 FEEAMO C=CCOC[C@H](O)C[N@H+](CCCOC)Cc1cccc(OC)c1OC ZINC000036097203 518991900 /nfs/dbraw/zinc/99/19/00/518991900.db2.gz QIRIXBURABFWHI-QGZVFWFLSA-N 1 1 353.459 2.106 50 30 FEEAMO COC(=O)[C@H](C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000058264348 523865781 /nfs/dbraw/zinc/86/57/81/523865781.db2.gz GSPTWXMEHZSEDY-QRWLVFNGSA-N 1 1 357.454 2.106 50 30 FEEAMO C[NH+]1CCN(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)CC1 ZINC000019891797 523906832 /nfs/dbraw/zinc/90/68/32/523906832.db2.gz ANEYDMMUSYLRHH-INIZCTEOSA-N 1 1 351.450 2.044 50 30 FEEAMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000048274181 570940191 /nfs/dbraw/zinc/94/01/91/570940191.db2.gz YAMPTSPMJZXLBN-INIZCTEOSA-N 1 1 351.491 2.093 50 30 FEEAMO C#CCNC(=O)C[N@H+]1CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000048274181 570940188 /nfs/dbraw/zinc/94/01/88/570940188.db2.gz YAMPTSPMJZXLBN-INIZCTEOSA-N 1 1 351.491 2.093 50 30 FEEAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2C(N)=O)C1 ZINC000004087112 539376435 /nfs/dbraw/zinc/37/64/35/539376435.db2.gz VCHHQXFSCBDLDB-UHFFFAOYSA-N 1 1 354.435 2.349 50 30 FEEAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2C(N)=O)C1 ZINC000004087112 539376440 /nfs/dbraw/zinc/37/64/40/539376440.db2.gz VCHHQXFSCBDLDB-UHFFFAOYSA-N 1 1 354.435 2.349 50 30 FEEAMO CCOc1ccc(NC(=O)NCC2(CN3CC[NH+](C)CC3)CC2)cc1C#N ZINC000299796380 210037571 /nfs/dbraw/zinc/03/75/71/210037571.db2.gz MNDAHTFSEUWMSA-UHFFFAOYSA-N 1 1 371.485 2.106 50 30 FEEAMO Cc1ccccc1C[N@H+]1CC[C@@H](Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)C1 ZINC000067563030 221259919 /nfs/dbraw/zinc/25/99/19/221259919.db2.gz HGEWPKDZIPKALT-MRXNPFEDSA-N 1 1 374.444 2.392 50 30 FEEAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(c3cccc(C#N)n3)C2)n1C ZINC000095372215 132208941 /nfs/dbraw/zinc/20/89/41/132208941.db2.gz FSYCPPHHWWSYFQ-OAHLLOKOSA-N 1 1 362.441 2.019 50 30 FEEAMO C=C(C)CNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000011664916 518607311 /nfs/dbraw/zinc/60/73/11/518607311.db2.gz NGSAEUQWMQZPHC-IBGZPJMESA-N 1 1 356.514 2.450 50 30 FEEAMO CC(C)CC[N@H+]1CCN(Cc2ccc(C#CCCO)cc2)C[C@@H]1CCO ZINC000019794825 519653761 /nfs/dbraw/zinc/65/37/61/519653761.db2.gz NKCOFRUZBNJNAS-QFIPXVFZSA-N 1 1 358.526 2.335 50 30 FEEAMO N#Cc1ccc(N2CC[C@H](N3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)C2=O)cc1 ZINC000252549667 549673888 /nfs/dbraw/zinc/67/38/88/549673888.db2.gz RPEDYSZQWSRKQG-NBYUQASBSA-N 1 1 350.466 2.080 50 30 FEEAMO C=C(C)CN1CC[NH+](CCc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000072403639 541804750 /nfs/dbraw/zinc/80/47/50/541804750.db2.gz CLLOCJFVHOHZDD-UHFFFAOYSA-N 1 1 372.469 2.490 50 30 FEEAMO C[NH+](C)[C@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000058283405 221112570 /nfs/dbraw/zinc/11/25/70/221112570.db2.gz RTPMDRDFXPWQGY-IBGZPJMESA-N 1 1 363.465 2.295 50 30 FEEAMO N#CC1(c2ccccc2)CCN(c2nc(N3CCC[C@@H](O)C3)cc[nH+]2)CC1 ZINC000065525866 221229539 /nfs/dbraw/zinc/22/95/39/221229539.db2.gz VREKGUNKSHXCMC-GOSISDBHSA-N 1 1 363.465 2.499 50 30 FEEAMO Cc1ccc(C#N)c(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000091665805 132203079 /nfs/dbraw/zinc/20/30/79/132203079.db2.gz JIAZOXPXDFXEMV-NRFANRHFSA-N 1 1 367.497 2.175 50 30 FEEAMO N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000097213288 132227914 /nfs/dbraw/zinc/22/79/14/132227914.db2.gz BSKQWFMKZJNTTD-UYAOXDASSA-N 1 1 352.482 2.471 50 30 FEEAMO N#Cc1cccc(N2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)n1 ZINC000106963944 132240784 /nfs/dbraw/zinc/24/07/84/132240784.db2.gz MJRKZSAJTUKJSH-HXUWFJFHSA-N 1 1 350.466 2.459 50 30 FEEAMO Cc1c(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)cc(C#N)n1C ZINC000091694449 542820361 /nfs/dbraw/zinc/82/03/61/542820361.db2.gz AHSMRWWXBPHGME-SJLPKXTDSA-N 1 1 363.465 2.337 50 30 FEEAMO O=C(C1CCC1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(C#CCO)cc2)C1 ZINC000091745985 542823751 /nfs/dbraw/zinc/82/37/51/542823751.db2.gz JOLPTMOSCURUCL-TZIWHRDSSA-N 1 1 352.478 2.253 50 30 FEEAMO Cc1cccc(C(=[NH2+])NOC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000005059893 263338762 /nfs/dbraw/zinc/33/87/62/263338762.db2.gz BDTSZOWJPJQJCC-UHFFFAOYSA-N 1 1 365.389 2.235 50 30 FEEAMO COc1ccc(C(=[NH2+])NOC(=O)c2ccc(OC(C)=O)cc2)cc1OC ZINC000004832864 523370147 /nfs/dbraw/zinc/37/01/47/523370147.db2.gz IGKOVKBLDSXKLW-UHFFFAOYSA-N 1 1 358.350 2.106 50 30 FEEAMO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@H+]1CCCC[C@H]1CO ZINC000252695145 525347523 /nfs/dbraw/zinc/34/75/23/525347523.db2.gz VQSWXEJDECKEJC-PZVKIFLGSA-N 1 1 363.498 2.360 50 30 FEEAMO N#CC1(c2ccccc2)CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000426690255 559740318 /nfs/dbraw/zinc/74/03/18/559740318.db2.gz HQUMQLNUPJYYNL-LJQANCHMSA-N 1 1 370.497 2.100 50 30 FEEAMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000050275629 540404323 /nfs/dbraw/zinc/40/43/23/540404323.db2.gz BGHAAMGPRSAHMS-HXUWFJFHSA-N 1 1 362.518 2.155 50 30 FEEAMO N#Cc1ccc(OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000022375453 220383533 /nfs/dbraw/zinc/38/35/33/220383533.db2.gz HPYIUNRDUVFJQG-UHFFFAOYSA-N 1 1 357.454 2.088 50 30 FEEAMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000055403503 221069373 /nfs/dbraw/zinc/06/93/73/221069373.db2.gz CFCUVQQJLWWLBR-UONOGXRCSA-N 1 1 358.486 2.033 50 30 FEEAMO COC(C[N@@H+](C)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12)OC ZINC000059478070 221126163 /nfs/dbraw/zinc/12/61/63/221126163.db2.gz CBRPEKGZJWTLTP-MGTDTEAMSA-N 1 1 367.486 2.064 50 30 FEEAMO Cc1cccc(C[N@@H+]2CCN(c3nc(C)ccc3C#N)C[C@H]2CCO)n1 ZINC000107002602 132266743 /nfs/dbraw/zinc/26/67/43/132266743.db2.gz UNUBIHHNYKJPFT-LJQANCHMSA-N 1 1 351.454 2.038 50 30 FEEAMO Cc1cccc(C[N@H+]2CCN(c3nc(C)ccc3C#N)C[C@H]2CCO)n1 ZINC000107002602 132266745 /nfs/dbraw/zinc/26/67/45/132266745.db2.gz UNUBIHHNYKJPFT-LJQANCHMSA-N 1 1 351.454 2.038 50 30 FEEAMO C=CCN1CC[C@@]2(CN(c3ncnc4sccc43)CC[N@@H+]2C)CCC1=O ZINC000107421527 132373396 /nfs/dbraw/zinc/37/33/96/132373396.db2.gz NSRCILWOGHZJAK-LJQANCHMSA-N 1 1 371.510 2.380 50 30 FEEAMO N#CC1(C(=O)N[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C2CC2)CCOCC1 ZINC000091663635 542818856 /nfs/dbraw/zinc/81/88/56/542818856.db2.gz BSCDWJTZOXJODQ-SJORKVTESA-N 1 1 359.495 2.395 50 30 FEEAMO C=CCN1CC[C@]2(CN(c3nc(C)cc(C)c3C#N)CC[N@@H+]2C)CCC1=O ZINC000091663759 534853343 /nfs/dbraw/zinc/85/33/43/534853343.db2.gz CCHXBGAMGSIAGE-NRFANRHFSA-N 1 1 367.497 2.259 50 30 FEEAMO CCOCC(=O)N[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC000534656014 562539460 /nfs/dbraw/zinc/53/94/60/562539460.db2.gz GBFUUALCQKONMF-SVFBPWRDSA-N 1 1 371.481 2.223 50 30 FEEAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCSC[C@H]3C#N)cc2)C[C@@H](C)O1 ZINC000108162756 570903481 /nfs/dbraw/zinc/90/34/81/570903481.db2.gz PAURRBJAQBJUQW-IIDMSEBBSA-N 1 1 359.495 2.377 50 30 FEEAMO C#CCNC(=O)C[N@H+]1CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000048274178 570939750 /nfs/dbraw/zinc/93/97/50/570939750.db2.gz YAMPTSPMJZXLBN-MRXNPFEDSA-N 1 1 351.491 2.093 50 30 FEEAMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000048274178 570939753 /nfs/dbraw/zinc/93/97/53/570939753.db2.gz YAMPTSPMJZXLBN-MRXNPFEDSA-N 1 1 351.491 2.093 50 30 FEEAMO CCC[NH+]1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]C[C@@H]2CCCO2)CC1 ZINC000065308263 541233610 /nfs/dbraw/zinc/23/36/10/541233610.db2.gz NMPJTECTNAEYDO-SFHVURJKSA-N 1 1 374.485 2.169 50 30 FEEAMO CCOc1ccccc1C[N@@H+]1CCN(c2cccc(C#N)n2)C[C@H]1CCO ZINC000107001651 132266632 /nfs/dbraw/zinc/26/66/32/132266632.db2.gz FQLFVOZUJRVQLZ-LJQANCHMSA-N 1 1 366.465 2.425 50 30 FEEAMO CCOc1ccccc1C[N@H+]1CCN(c2cccc(C#N)n2)C[C@H]1CCO ZINC000107001651 132266634 /nfs/dbraw/zinc/26/66/34/132266634.db2.gz FQLFVOZUJRVQLZ-LJQANCHMSA-N 1 1 366.465 2.425 50 30 FEEAMO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000091574370 527072347 /nfs/dbraw/zinc/07/23/47/527072347.db2.gz CSQOFNRLOMXMNX-GOSISDBHSA-N 1 1 361.453 2.311 50 30 FEEAMO CSCCC[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@]2(C(=O)[O-])C1 ZINC000215199945 548669082 /nfs/dbraw/zinc/66/90/82/548669082.db2.gz ACDWNPSXXXVFNP-HKUYNNGSSA-N 1 1 359.495 2.130 50 30 FEEAMO CSCCC[N@H+]1C[C@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@]2(C(=O)[O-])C1 ZINC000215199945 548669085 /nfs/dbraw/zinc/66/90/85/548669085.db2.gz ACDWNPSXXXVFNP-HKUYNNGSSA-N 1 1 359.495 2.130 50 30 FEEAMO CSCCC[NH+]1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C(=O)[O-])C1 ZINC000215199945 548669087 /nfs/dbraw/zinc/66/90/87/548669087.db2.gz ACDWNPSXXXVFNP-HKUYNNGSSA-N 1 1 359.495 2.130 50 30 FEEAMO CSCCC[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@]2(C(=O)[O-])C1 ZINC000215199945 548669091 /nfs/dbraw/zinc/66/90/91/548669091.db2.gz ACDWNPSXXXVFNP-HKUYNNGSSA-N 1 1 359.495 2.130 50 30 FEEAMO COc1ccc([C@@H]2c3c(-c4ccccc4)[nH+]c(N)n3NC(=O)[C@H]2C#N)cc1 ZINC000409417352 571135468 /nfs/dbraw/zinc/13/54/68/571135468.db2.gz DYXUCRNHNCKTGL-HOTGVXAUSA-N 1 1 359.389 2.496 50 30 FEEAMO COc1ccc([C@H]2c3c(-c4ccccc4)[nH+]c(N)n3NC(=O)[C@@H]2C#N)cc1 ZINC000409417353 571135483 /nfs/dbraw/zinc/13/54/83/571135483.db2.gz DYXUCRNHNCKTGL-HZPDHXFCSA-N 1 1 359.389 2.496 50 30 FEEAMO C=CCOc1ccccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](CCO)C1 ZINC000019840003 220301445 /nfs/dbraw/zinc/30/14/45/220301445.db2.gz HIRUFTJPSUKHAP-NRFANRHFSA-N 1 1 373.541 2.214 50 30 FEEAMO C=CCOc1ccccc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](CCO)C1 ZINC000019840003 220301451 /nfs/dbraw/zinc/30/14/51/220301451.db2.gz HIRUFTJPSUKHAP-NRFANRHFSA-N 1 1 373.541 2.214 50 30 FEEAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(c3cccc(C#N)n3)CC2)n1C ZINC000091952394 132205125 /nfs/dbraw/zinc/20/51/25/132205125.db2.gz YPMUXVCQIGCZGS-UHFFFAOYSA-N 1 1 362.441 2.019 50 30 FEEAMO CN(C)c1ccc(C=[NH+]c2c(N)n(-c3ccccc3)c(=O)nc2C#N)cc1 ZINC000100946984 222258302 /nfs/dbraw/zinc/25/83/02/222258302.db2.gz CSDNYWSYGSNSKX-ZYVIXVCZSA-N 1 1 358.405 2.333 50 30 FEEAMO COC(=O)[C@H](C)C[N@@H+](CC(=O)NC1(C#N)CCCC1)Cc1ccccc1 ZINC000058316384 523864914 /nfs/dbraw/zinc/86/49/14/523864914.db2.gz MIEZDVOWAZAKSD-MRXNPFEDSA-N 1 1 357.454 2.250 50 30 FEEAMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000284479641 551558314 /nfs/dbraw/zinc/55/83/14/551558314.db2.gz GMWKZCJQPXYXSI-CRAIPNDOSA-N 1 1 359.470 2.203 50 30 FEEAMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000284479641 551558317 /nfs/dbraw/zinc/55/83/17/551558317.db2.gz GMWKZCJQPXYXSI-CRAIPNDOSA-N 1 1 359.470 2.203 50 30 FEEAMO C=C(C)CNc1nc(COCC)nc2c1CC[N@@H+](Cc1c[nH]cn1)CC2 ZINC000072431536 541812496 /nfs/dbraw/zinc/81/24/96/541812496.db2.gz PPQPCQFURMIWIN-UHFFFAOYSA-N 1 1 356.474 2.325 50 30 FEEAMO C=C(C)CNc1nc(COCC)nc2c1CC[N@H+](Cc1cnc[nH]1)CC2 ZINC000072431536 541812498 /nfs/dbraw/zinc/81/24/98/541812498.db2.gz PPQPCQFURMIWIN-UHFFFAOYSA-N 1 1 356.474 2.325 50 30 FEEAMO C=C(C)CNc1nc(COCC)nc2c1CC[N@@H+](Cc1cnc[nH]1)CC2 ZINC000072431536 541812502 /nfs/dbraw/zinc/81/25/02/541812502.db2.gz PPQPCQFURMIWIN-UHFFFAOYSA-N 1 1 356.474 2.325 50 30 FEEAMO CCN1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)CC1 ZINC000020756445 220340905 /nfs/dbraw/zinc/34/09/05/220340905.db2.gz OURZJOAJOVHDAD-BJFZXJCHSA-N 1 1 362.514 2.149 50 30 FEEAMO COc1nccc(-c2cccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C3)c2)c1C#N ZINC000299788487 533221958 /nfs/dbraw/zinc/22/19/58/533221958.db2.gz PUYBSRAUEVVWIK-MRXNPFEDSA-N 1 1 350.422 2.405 50 30 FEEAMO N#Cc1cccc(N2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)n1 ZINC000072425378 136146525 /nfs/dbraw/zinc/14/65/25/136146525.db2.gz MJRKZSAJTUKJSH-FQEVSTJZSA-N 1 1 350.466 2.459 50 30 FEEAMO Cc1cccc(C[N@@H+]2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)n1 ZINC000072476275 136149277 /nfs/dbraw/zinc/14/92/77/136149277.db2.gz UNUBIHHNYKJPFT-IBGZPJMESA-N 1 1 351.454 2.038 50 30 FEEAMO Cc1cccc(C[N@H+]2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)n1 ZINC000072476275 136149278 /nfs/dbraw/zinc/14/92/78/136149278.db2.gz UNUBIHHNYKJPFT-IBGZPJMESA-N 1 1 351.454 2.038 50 30 FEEAMO C=CCOC[C@@H](O)C[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CCCO1 ZINC000036096091 518988836 /nfs/dbraw/zinc/98/88/36/518988836.db2.gz VGBUTUGSFPSDRN-ROUUACIJSA-N 1 1 365.470 2.248 50 30 FEEAMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000284479649 551558371 /nfs/dbraw/zinc/55/83/71/551558371.db2.gz GMWKZCJQPXYXSI-MAUKXSAKSA-N 1 1 359.470 2.203 50 30 FEEAMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000284479649 551558373 /nfs/dbraw/zinc/55/83/73/551558373.db2.gz GMWKZCJQPXYXSI-MAUKXSAKSA-N 1 1 359.470 2.203 50 30 FEEAMO CC(C)C[N@H+]1CCCC[C@H]1CCn1ccc2[nH]c(=O)c(C#N)cc2c1=O ZINC000067605134 221262720 /nfs/dbraw/zinc/26/27/20/221262720.db2.gz LMLNCYFVMYXDOF-INIZCTEOSA-N 1 1 354.454 2.462 50 30 FEEAMO Cn1c(Cn2cccn2)nnc1[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000091951222 542834135 /nfs/dbraw/zinc/83/41/35/542834135.db2.gz MMKLUSRQVXQYRX-GOSISDBHSA-N 1 1 361.453 2.311 50 30 FEEAMO C[N@H+]1CCN(Cc2ccc(C#N)cc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000095387571 542967136 /nfs/dbraw/zinc/96/71/36/542967136.db2.gz MAFWGNIMEYLDHG-QFIPXVFZSA-N 1 1 366.509 2.467 50 30 FEEAMO COc1ccc(C(=[NH2+])NOC(=O)c2c(OC)cccc2OC)cc1OC ZINC000005077870 263338756 /nfs/dbraw/zinc/33/87/56/263338756.db2.gz CKLWMWKLVPYLDR-UHFFFAOYSA-N 1 1 360.366 2.198 50 30 FEEAMO Cc1c(C[N@@H+](C)CCNc2cc([C@H]3CCOC3)ncn2)cc(C#N)n1C ZINC000299796614 533844345 /nfs/dbraw/zinc/84/43/45/533844345.db2.gz NHBMODHSPHSBRX-HNNXBMFYSA-N 1 1 354.458 2.043 50 30 FEEAMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000052801338 221040696 /nfs/dbraw/zinc/04/06/96/221040696.db2.gz CBGWUVKRNHVJOU-UHFFFAOYSA-N 1 1 352.482 2.375 50 30 FEEAMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000052801338 221040698 /nfs/dbraw/zinc/04/06/98/221040698.db2.gz CBGWUVKRNHVJOU-UHFFFAOYSA-N 1 1 352.482 2.375 50 30 FEEAMO N#Cc1ccsc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000065426726 221217729 /nfs/dbraw/zinc/21/77/29/221217729.db2.gz IGHAQTYBQXGVRI-OAHLLOKOSA-N 1 1 354.435 2.322 50 30 FEEAMO N#Cc1ccsc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000065426726 221217731 /nfs/dbraw/zinc/21/77/31/221217731.db2.gz IGHAQTYBQXGVRI-OAHLLOKOSA-N 1 1 354.435 2.322 50 30 FEEAMO C=CCc1cc(C[N@H+]2CCc3nc(C)[nH]c(=O)c3CC2)cc(OC)c1O ZINC000067871328 221298462 /nfs/dbraw/zinc/29/84/62/221298462.db2.gz OSZBTBGYAPLRBJ-UHFFFAOYSA-N 1 1 355.438 2.122 50 30 FEEAMO Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)cc1C#N ZINC000095502709 542975411 /nfs/dbraw/zinc/97/54/11/542975411.db2.gz VULZVOLKFALDKF-QGZVFWFLSA-N 1 1 355.486 2.358 50 30 FEEAMO COc1ccc([C@@H]2C[N@@H+](Cc3cc(C#N)n(C)c3C)C[C@H]2NC(C)=O)cc1 ZINC000091694774 221785173 /nfs/dbraw/zinc/78/51/73/221785173.db2.gz DJBQCCWGYQTFEV-LEWJYISDSA-N 1 1 366.465 2.318 50 30 FEEAMO C=C(C)CNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000011664915 518607775 /nfs/dbraw/zinc/60/77/75/518607775.db2.gz NGSAEUQWMQZPHC-LJQANCHMSA-N 1 1 356.514 2.450 50 30 FEEAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc(-c2cc(C#N)ccn2)cc1 ZINC000426548889 559737569 /nfs/dbraw/zinc/73/75/69/559737569.db2.gz VRZJCJNZYOAKFQ-OALUTQOASA-N 1 1 350.422 2.069 50 30 FEEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CCCO1 ZINC000104971114 570865825 /nfs/dbraw/zinc/86/58/25/570865825.db2.gz VGBUTUGSFPSDRN-MSOLQXFVSA-N 1 1 365.470 2.248 50 30 FEEAMO COc1ccc(C(=O)ONC(=[NH2+])c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000003906028 539374124 /nfs/dbraw/zinc/37/41/24/539374124.db2.gz AOYJRVHCUFBQQB-UHFFFAOYSA-N 1 1 360.366 2.198 50 30 FEEAMO CC[N@@H+]1CCc2c(C#N)c(N3CCCCC3)nc(N3CCOCC3)c2C1 ZINC000013116157 539583396 /nfs/dbraw/zinc/58/33/96/539583396.db2.gz QJZHQABIAZLOIL-UHFFFAOYSA-N 1 1 355.486 2.158 50 30 FEEAMO CC[N@H+]1CCc2c(C#N)c(N3CCCCC3)nc(N3CCOCC3)c2C1 ZINC000013116157 539583398 /nfs/dbraw/zinc/58/33/98/539583398.db2.gz QJZHQABIAZLOIL-UHFFFAOYSA-N 1 1 355.486 2.158 50 30 FEEAMO CC(C)C[N@H+]1CCCC[C@@H]1CCn1ccc2[nH]c(=O)c(C#N)cc2c1=O ZINC000067605133 221262737 /nfs/dbraw/zinc/26/27/37/221262737.db2.gz LMLNCYFVMYXDOF-MRXNPFEDSA-N 1 1 354.454 2.462 50 30 FEEAMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000092617318 542875821 /nfs/dbraw/zinc/87/58/21/542875821.db2.gz YTXTWHVHBBVZSB-UXHICEINSA-N 1 1 354.498 2.298 50 30 FEEAMO N#Cc1cccnc1N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071730438 136139886 /nfs/dbraw/zinc/13/98/86/136139886.db2.gz LQUBFTKTVGVWIF-GOSISDBHSA-N 1 1 367.497 2.256 50 30 FEEAMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN(Cc2ccccc2C#N)CC1 ZINC000095379813 542965670 /nfs/dbraw/zinc/96/56/70/542965670.db2.gz NBYHTFNJGRNWAQ-HXUWFJFHSA-N 1 1 354.498 2.467 50 30 FEEAMO Cc1nc[nH]c1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(C#CCO)s2)C1 ZINC000095379596 542964378 /nfs/dbraw/zinc/96/43/78/542964378.db2.gz RJOWFCKLZFYQJM-DLBZAZTESA-N 1 1 370.522 2.220 50 30 FEEAMO C#CCOC[C@H](O)C[N@@H+](Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103496 518311985 /nfs/dbraw/zinc/31/19/85/518311985.db2.gz XGWFUHUIIXVAQX-MRXNPFEDSA-N 1 1 359.447 2.490 50 30 FEEAMO C=CCN1CC2(CCC1=O)CCN(C(=O)CCn1cc[nH+]c1CC)CC2 ZINC000091444838 518857973 /nfs/dbraw/zinc/85/79/73/518857973.db2.gz VYKOXQAERWBFBE-UHFFFAOYSA-N 1 1 358.486 2.253 50 30 FEEAMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000242304996 519788685 /nfs/dbraw/zinc/78/86/85/519788685.db2.gz YTXTWHVHBBVZSB-VQTJNVASSA-N 1 1 354.498 2.298 50 30 FEEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCCN(c3ncccn3)CC2)s1 ZINC000215995197 571110714 /nfs/dbraw/zinc/11/07/14/571110714.db2.gz YGNYDQKVMPTQSR-UHFFFAOYSA-N 1 1 356.495 2.373 50 30 FEEAMO COCC(=O)N1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)o2)CC1 ZINC000071754397 541770753 /nfs/dbraw/zinc/77/07/53/541770753.db2.gz HVYXGGSMWVGZDD-UHFFFAOYSA-N 1 1 353.422 2.499 50 30 FEEAMO COCC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)o2)CC1 ZINC000071754397 541770755 /nfs/dbraw/zinc/77/07/55/541770755.db2.gz HVYXGGSMWVGZDD-UHFFFAOYSA-N 1 1 353.422 2.499 50 30 FEEAMO N#Cc1ccc(NC(=O)CC[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1 ZINC000060090320 205283862 /nfs/dbraw/zinc/28/38/62/205283862.db2.gz QWZBHAMSPIKOLP-LJQANCHMSA-N 1 1 362.433 2.450 50 30 FEEAMO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(C#N)n(C)c1)C2 ZINC000092082051 542844842 /nfs/dbraw/zinc/84/48/42/542844842.db2.gz CMFXAADCBDEJJX-DLBZAZTESA-N 1 1 367.453 2.125 50 30 FEEAMO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cc(C#N)n(C)c1)C2 ZINC000092082051 542844844 /nfs/dbraw/zinc/84/48/44/542844844.db2.gz CMFXAADCBDEJJX-DLBZAZTESA-N 1 1 367.453 2.125 50 30 FEEAMO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc(C#CCO)s3)C2)N1CC1CCC1 ZINC000095362187 542960002 /nfs/dbraw/zinc/96/00/02/542960002.db2.gz ZBTSXLKFXHTIAM-DLBZAZTESA-N 1 1 358.507 2.315 50 30 FEEAMO COCC[N@H+]1CCC[C@H](C(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000097772979 543015981 /nfs/dbraw/zinc/01/59/81/543015981.db2.gz ZIGKJRQOUIPOMI-SFHVURJKSA-N 1 1 355.482 2.429 50 30 FEEAMO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000023057610 539705045 /nfs/dbraw/zinc/70/50/45/539705045.db2.gz MAHXCDZOLXVZMN-UHFFFAOYSA-N 1 1 354.454 2.221 50 30 FEEAMO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027303319 539804885 /nfs/dbraw/zinc/80/48/85/539804885.db2.gz NJFDJEVKFRPOHY-GFCCVEGCSA-N 1 1 357.376 2.101 50 30 FEEAMO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027303319 539804889 /nfs/dbraw/zinc/80/48/89/539804889.db2.gz NJFDJEVKFRPOHY-GFCCVEGCSA-N 1 1 357.376 2.101 50 30 FEEAMO COc1ccc(C(=O)NCC#CC[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000075164998 205035547 /nfs/dbraw/zinc/03/55/47/205035547.db2.gz RPKPGNFUVXRHFZ-UHFFFAOYSA-N 1 1 364.445 2.495 50 30 FEEAMO COc1ccc(C(=O)NCC#CC[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000075164998 205035551 /nfs/dbraw/zinc/03/55/51/205035551.db2.gz RPKPGNFUVXRHFZ-UHFFFAOYSA-N 1 1 364.445 2.495 50 30 FEEAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(C#CC(C)(C)O)cc1)C2 ZINC000091486639 542810845 /nfs/dbraw/zinc/81/08/45/542810845.db2.gz ROQRMFSRLMUFOA-LEWJYISDSA-N 1 1 356.510 2.352 50 30 FEEAMO COCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(C#CC(C)(C)O)cc1)C2 ZINC000091486639 542810848 /nfs/dbraw/zinc/81/08/48/542810848.db2.gz ROQRMFSRLMUFOA-LEWJYISDSA-N 1 1 356.510 2.352 50 30 FEEAMO COCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)C2 ZINC000091486639 542810851 /nfs/dbraw/zinc/81/08/51/542810851.db2.gz ROQRMFSRLMUFOA-LEWJYISDSA-N 1 1 356.510 2.352 50 30 FEEAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCSC[C@@H]3C#N)cc2)C[C@@H](C)O1 ZINC000095460644 542972056 /nfs/dbraw/zinc/97/20/56/542972056.db2.gz PAURRBJAQBJUQW-RKVPGOIHSA-N 1 1 359.495 2.377 50 30 FEEAMO C#CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000095365000 518271897 /nfs/dbraw/zinc/27/18/97/518271897.db2.gz NGKFDLHGBRTKAV-LJQANCHMSA-N 1 1 353.466 2.027 50 30 FEEAMO C#CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000095365000 518271908 /nfs/dbraw/zinc/27/19/08/518271908.db2.gz NGKFDLHGBRTKAV-LJQANCHMSA-N 1 1 353.466 2.027 50 30 FEEAMO CN1CC[NH+](CCCOc2ccccc2CN2CCC[C@H](C#N)C2)CC1 ZINC000216196240 548676550 /nfs/dbraw/zinc/67/65/50/548676550.db2.gz JTDASDURFMOAMZ-LJQANCHMSA-N 1 1 356.514 2.438 50 30 FEEAMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229687655 548756952 /nfs/dbraw/zinc/75/69/52/548756952.db2.gz RHPHOYVYFLXRPW-ZMMAXQRCSA-N 1 1 371.481 2.426 50 30 FEEAMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229687655 548756960 /nfs/dbraw/zinc/75/69/60/548756960.db2.gz RHPHOYVYFLXRPW-ZMMAXQRCSA-N 1 1 371.481 2.426 50 30 FEEAMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000426443488 571225921 /nfs/dbraw/zinc/22/59/21/571225921.db2.gz WZENCEAQCZASLJ-SFHVURJKSA-N 1 1 370.497 2.364 50 30 FEEAMO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)C1CC1 ZINC000007018815 539444842 /nfs/dbraw/zinc/44/48/42/539444842.db2.gz ICTRXFNTLTUTGI-OXQOHEQNSA-N 1 1 355.438 2.403 50 30 FEEAMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)C1CC1 ZINC000007018815 539444846 /nfs/dbraw/zinc/44/48/46/539444846.db2.gz ICTRXFNTLTUTGI-OXQOHEQNSA-N 1 1 355.438 2.403 50 30 FEEAMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000012333517 539555533 /nfs/dbraw/zinc/55/55/33/539555533.db2.gz GSICFQBSBJBWIQ-OAHLLOKOSA-N 1 1 354.454 2.220 50 30 FEEAMO CCn1cc(C[N@@H+]2CCc3nnc(Cc4cccnc4)n3CC2)cc1C#N ZINC000072151349 541789539 /nfs/dbraw/zinc/78/95/39/541789539.db2.gz KPXADCISIQSIHQ-UHFFFAOYSA-N 1 1 361.453 2.015 50 30 FEEAMO C=CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)c1 ZINC000072479009 541821543 /nfs/dbraw/zinc/82/15/43/541821543.db2.gz ILTOEWRONDQNPO-AZUAARDMSA-N 1 1 358.482 2.447 50 30 FEEAMO C#CCOC[C@@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022805129 206392492 /nfs/dbraw/zinc/39/24/92/206392492.db2.gz BBPRXQMYQJRYDK-QFIPXVFZSA-N 1 1 364.489 2.404 50 30 FEEAMO COC(=O)c1cc(C#N)c(N2CCC[C@@H](Cn3cc[nH+]c3C)C2)nc1C ZINC000077554489 132189454 /nfs/dbraw/zinc/18/94/54/132189454.db2.gz HSQXHEZCEWFJGB-HNNXBMFYSA-N 1 1 353.426 2.470 50 30 FEEAMO C[NH+](C)[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(F)c1 ZINC000091604615 132202362 /nfs/dbraw/zinc/20/23/62/132202362.db2.gz HBHBSTDXRDACFX-SFHVURJKSA-N 1 1 367.428 2.044 50 30 FEEAMO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000097681722 132230554 /nfs/dbraw/zinc/23/05/54/132230554.db2.gz RHHWVXLQSQHCEZ-WOJBJXKFSA-N 1 1 352.482 2.471 50 30 FEEAMO C=CC[C@]1(CO)CCCN(C(=O)C2([NH+]3CCOCC3)CCCCC2)C1 ZINC000091593395 542814478 /nfs/dbraw/zinc/81/44/78/542814478.db2.gz WPFJDMCTXCZZFL-IBGZPJMESA-N 1 1 350.503 2.199 50 30 FEEAMO N#Cc1ccc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)nc1 ZINC000071767768 136140990 /nfs/dbraw/zinc/14/09/90/136140990.db2.gz IXAIBNURZITPOJ-SFHVURJKSA-N 1 1 367.497 2.256 50 30 FEEAMO C=CCOC[C@@H](O)C[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H]1CCCO1 ZINC000036096094 518989112 /nfs/dbraw/zinc/98/91/12/518989112.db2.gz VGBUTUGSFPSDRN-ZWKOTPCHSA-N 1 1 365.470 2.248 50 30 FEEAMO CN(Cc1cc(C#N)ccc1F)C(=O)C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000083862027 571054429 /nfs/dbraw/zinc/05/44/29/571054429.db2.gz RBYNHFKUJAHNFK-KRWDZBQOSA-N 1 1 368.412 2.204 50 30 FEEAMO CN(Cc1cc(C#N)ccc1F)C(=O)C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000083862027 571054430 /nfs/dbraw/zinc/05/44/30/571054430.db2.gz RBYNHFKUJAHNFK-KRWDZBQOSA-N 1 1 368.412 2.204 50 30 FEEAMO COc1ccc(-c2c(C#N)c(N)nc3c2C[N@@H+](C)CC3)c(OC)c1OC ZINC000018222890 539648247 /nfs/dbraw/zinc/64/82/47/539648247.db2.gz PDHJLDKUGMGOGM-UHFFFAOYSA-N 1 1 354.410 2.216 50 30 FEEAMO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000027543591 539809633 /nfs/dbraw/zinc/80/96/33/539809633.db2.gz WUDYMNPSLKBGSK-ZDUSSCGKSA-N 1 1 356.392 2.303 50 30 FEEAMO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000027543591 539809636 /nfs/dbraw/zinc/80/96/36/539809636.db2.gz WUDYMNPSLKBGSK-ZDUSSCGKSA-N 1 1 356.392 2.303 50 30 FEEAMO Cc1cc(C)n(-c2cccc(C[NH+]3CCN(c4nccnc4C#N)CC3)c2)n1 ZINC000065372792 205340772 /nfs/dbraw/zinc/34/07/72/205340772.db2.gz UQQOPQPSUIBHML-UHFFFAOYSA-N 1 1 373.464 2.473 50 30 FEEAMO C=CCN1CC[C@@]2(CN(c3nc(C)cc(C)c3C#N)CC[N@@H+]2C)CCC1=O ZINC000107410780 132373404 /nfs/dbraw/zinc/37/34/04/132373404.db2.gz CCHXBGAMGSIAGE-OAQYLSRUSA-N 1 1 367.497 2.259 50 30 FEEAMO C[NH+]1CCN(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)CC1 ZINC000019891793 523905268 /nfs/dbraw/zinc/90/52/68/523905268.db2.gz ANEYDMMUSYLRHH-MRXNPFEDSA-N 1 1 351.450 2.044 50 30 FEEAMO C[N@H+]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 ZINC000022782791 523907751 /nfs/dbraw/zinc/90/77/51/523907751.db2.gz PYQHUAKAECCZRV-UNMCSNQZSA-N 1 1 365.477 2.481 50 30 FEEAMO CN1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 ZINC000022782791 523907756 /nfs/dbraw/zinc/90/77/56/523907756.db2.gz PYQHUAKAECCZRV-UNMCSNQZSA-N 1 1 365.477 2.481 50 30 FEEAMO CN1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 ZINC000022782791 523907760 /nfs/dbraw/zinc/90/77/60/523907760.db2.gz PYQHUAKAECCZRV-UNMCSNQZSA-N 1 1 365.477 2.481 50 30 FEEAMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)oc2c1/C(=N\O)CC(C)(C)C2 ZINC000101108433 525609506 /nfs/dbraw/zinc/60/95/06/525609506.db2.gz QZKRFLKXJYZSMO-STZFKDTASA-N 1 1 363.458 2.191 50 30 FEEAMO N#CCC[C@@H](C#N)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000058179242 526464048 /nfs/dbraw/zinc/46/40/48/526464048.db2.gz JBYZOCSPCCQTNG-PXNSSMCTSA-N 1 1 365.437 2.017 50 30 FEEAMO N#CCC[C@H](C#N)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000225165035 526465377 /nfs/dbraw/zinc/46/53/77/526465377.db2.gz JBYZOCSPCCQTNG-XLIONFOSSA-N 1 1 365.437 2.017 50 30 FEEAMO Cc1noc([C@]23CN(Cc4ccc(F)c(C#N)c4)C[C@H]2C[N@@H+](C)CC3)n1 ZINC000685941132 571100493 /nfs/dbraw/zinc/10/04/93/571100493.db2.gz SKVFCQCGXWXADX-VQIMIIECSA-N 1 1 355.417 2.094 50 30 FEEAMO Cc1noc([C@]23C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]2CN(C)CC3)n1 ZINC000685941132 571100494 /nfs/dbraw/zinc/10/04/94/571100494.db2.gz SKVFCQCGXWXADX-VQIMIIECSA-N 1 1 355.417 2.094 50 30 FEEAMO Cc1noc([C@]23C[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]2CN(C)CC3)n1 ZINC000685941132 571100496 /nfs/dbraw/zinc/10/04/96/571100496.db2.gz SKVFCQCGXWXADX-VQIMIIECSA-N 1 1 355.417 2.094 50 30 FEEAMO C=C(C)C[NH+]1CCN(C(=O)NCc2ccccc2CN2CCCC2=O)CC1 ZINC000584900391 571316058 /nfs/dbraw/zinc/31/60/58/571316058.db2.gz RYGAVLDTJZFYIT-UHFFFAOYSA-N 1 1 370.497 2.212 50 30 FEEAMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C(N)=O)cc3)CC2)cc1 ZINC000029984603 539871507 /nfs/dbraw/zinc/87/15/07/539871507.db2.gz ZPDFAOCHDKOYTJ-UHFFFAOYSA-N 1 1 362.433 2.005 50 30 FEEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C(N)=O)cc3)CC2)cc1 ZINC000029984603 539871512 /nfs/dbraw/zinc/87/15/12/539871512.db2.gz ZPDFAOCHDKOYTJ-UHFFFAOYSA-N 1 1 362.433 2.005 50 30 FEEAMO C=C(C)C[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000054178075 540573510 /nfs/dbraw/zinc/57/35/10/540573510.db2.gz QRZCPSFXMJGKOA-UHFFFAOYSA-N 1 1 357.366 2.035 50 30 FEEAMO [NH2+]=C(NOC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000009156366 204355985 /nfs/dbraw/zinc/35/59/85/204355985.db2.gz YWHJDOJXWJKCBL-CYBMUJFWSA-N 1 1 361.785 2.401 50 30 FEEAMO CC[NH+]1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)CC1 ZINC000020112153 206328053 /nfs/dbraw/zinc/32/80/53/206328053.db2.gz PWZIDACZWRSZDD-WHHPXKAQSA-N 1 1 362.514 2.151 50 30 FEEAMO Cc1cccc([C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[NH+](C)C)c1 ZINC000095370231 132208583 /nfs/dbraw/zinc/20/85/83/132208583.db2.gz DYPWHACJOQWPEN-FQEVSTJZSA-N 1 1 363.465 2.213 50 30 FEEAMO CCC[C@H]1C[N@H+](C2CCN(C(C)=O)CC2)C[C@@H]1Nc1ccc(C#N)cn1 ZINC000092002948 542835756 /nfs/dbraw/zinc/83/57/56/542835756.db2.gz ADBYYDDRBFDYSX-HKUYNNGSSA-N 1 1 355.486 2.477 50 30 FEEAMO C=CCn1cc(C[N@H+]2CCc3nc(C)nc(N4CC=CC4)c3CC2)cn1 ZINC000102030026 543056507 /nfs/dbraw/zinc/05/65/07/543056507.db2.gz XZMZLCGSBOFLCT-UHFFFAOYSA-N 1 1 350.470 2.145 50 30 FEEAMO C=CCN1CC[C@@]2(CN(Cc3ccc(CC)cn3)CC[N@H+]2C)CCC1=O ZINC000107698237 543276294 /nfs/dbraw/zinc/27/62/94/543276294.db2.gz JYIVXSJXFLDAAC-OAQYLSRUSA-N 1 1 356.514 2.329 50 30 FEEAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CN2CCOCC2=O)C1 ZINC000329861672 554020915 /nfs/dbraw/zinc/02/09/15/554020915.db2.gz QLJMKHRYKZOFHD-CALCHBBNSA-N 1 1 373.497 2.480 50 30 FEEAMO CN1CCc2c(C#N)c(N3CC[NH+](C)CC3)nc(Nc3ccccc3)c2C1 ZINC000006672746 539433485 /nfs/dbraw/zinc/43/34/85/539433485.db2.gz MKVXGYUNGMDELL-UHFFFAOYSA-N 1 1 362.481 2.437 50 30 FEEAMO COc1cccc([C@H](CNS(=O)(=O)c2cccc(C#N)c2)[NH+](C)C)c1 ZINC000010091257 539512444 /nfs/dbraw/zinc/51/24/44/539512444.db2.gz SDTJMJUGFPTTPO-SFHVURJKSA-N 1 1 359.451 2.148 50 30 FEEAMO CN1CC[NH+](CCc2cn3ncc(C#N)c3nc2-c2ccc(F)cc2)CC1 ZINC000020218658 539673434 /nfs/dbraw/zinc/67/34/34/539673434.db2.gz TWBDFOPPOGKEHE-UHFFFAOYSA-N 1 1 364.428 2.197 50 30 FEEAMO C=CCn1cc(C[N@@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cn1 ZINC000091474088 542809384 /nfs/dbraw/zinc/80/93/84/542809384.db2.gz PZIMMXJBYPWIMN-UHFFFAOYSA-N 1 1 368.485 2.088 50 30 FEEAMO C=CCn1cc(C[N@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cn1 ZINC000091474088 542809388 /nfs/dbraw/zinc/80/93/88/542809388.db2.gz PZIMMXJBYPWIMN-UHFFFAOYSA-N 1 1 368.485 2.088 50 30 FEEAMO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000058210089 519807594 /nfs/dbraw/zinc/80/75/94/519807594.db2.gz AMWRYMWBLJTZOI-HXUWFJFHSA-N 1 1 360.477 2.388 50 30 FEEAMO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000058210089 519807595 /nfs/dbraw/zinc/80/75/95/519807595.db2.gz AMWRYMWBLJTZOI-HXUWFJFHSA-N 1 1 360.477 2.388 50 30 FEEAMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)C1CC1 ZINC000036480296 539990198 /nfs/dbraw/zinc/99/01/98/539990198.db2.gz ICTRXFNTLTUTGI-JXFKEZNVSA-N 1 1 355.438 2.403 50 30 FEEAMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)C1CC1 ZINC000036480296 539990203 /nfs/dbraw/zinc/99/02/03/539990203.db2.gz ICTRXFNTLTUTGI-JXFKEZNVSA-N 1 1 355.438 2.403 50 30 FEEAMO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@H+]1CCCC[C@@H]1CO ZINC000006623742 206204578 /nfs/dbraw/zinc/20/45/78/206204578.db2.gz VQSWXEJDECKEJC-UJXCDSABSA-N 1 1 363.498 2.360 50 30 FEEAMO OCC#Cc1csc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)c1 ZINC000095354983 542958456 /nfs/dbraw/zinc/95/84/56/542958456.db2.gz QPVNVXOWNACTFG-PKOBYXMFSA-N 1 1 360.523 2.167 50 30 FEEAMO OCC#Cc1csc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)c1 ZINC000095354983 542958460 /nfs/dbraw/zinc/95/84/60/542958460.db2.gz QPVNVXOWNACTFG-PKOBYXMFSA-N 1 1 360.523 2.167 50 30 FEEAMO OCC#Cc1csc(CN2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)c1 ZINC000095354983 542958462 /nfs/dbraw/zinc/95/84/62/542958462.db2.gz QPVNVXOWNACTFG-PKOBYXMFSA-N 1 1 360.523 2.167 50 30 FEEAMO CCC#CCN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082138588 521058397 /nfs/dbraw/zinc/05/83/97/521058397.db2.gz OPXQRSRRVCHXEX-LJQANCHMSA-N 1 1 368.525 2.288 50 30 FEEAMO C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@H+]4CCC[C@H]4C3)sc2C1 ZINC000239025454 524721088 /nfs/dbraw/zinc/72/10/88/524721088.db2.gz BQXPOWKWSSMFGL-KGLIPLIRSA-N 1 1 358.511 2.463 50 30 FEEAMO N#Cc1ccc(N2CC[C@H](N3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)C2=O)cc1 ZINC000252549668 549674253 /nfs/dbraw/zinc/67/42/53/549674253.db2.gz RPEDYSZQWSRKQG-RNQOJCNYSA-N 1 1 350.466 2.080 50 30 FEEAMO C=CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OC)c(C(=O)NC)c2)C[C@H]1C ZINC000426697300 559740467 /nfs/dbraw/zinc/74/04/67/559740467.db2.gz HNMRSTANRMYWQV-ZIAGYGMSSA-N 1 1 360.458 2.167 50 30 FEEAMO C=CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OC)c(C(=O)NC)c2)C[C@H]1C ZINC000426697300 559740468 /nfs/dbraw/zinc/74/04/68/559740468.db2.gz HNMRSTANRMYWQV-ZIAGYGMSSA-N 1 1 360.458 2.167 50 30 FEEAMO Cc1cccc(CN2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000023254263 539709979 /nfs/dbraw/zinc/70/99/79/539709979.db2.gz RRXTUCXYTRUTCN-NRFANRHFSA-N 1 1 365.477 2.424 50 30 FEEAMO COc1cc(C#N)ccc1OCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000024536188 539733804 /nfs/dbraw/zinc/73/38/04/539733804.db2.gz JKMJRHODEJCSRB-SFHVURJKSA-N 1 1 365.433 2.336 50 30 FEEAMO Cn1c2ccccc2cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1=O ZINC000065460054 205352529 /nfs/dbraw/zinc/35/25/29/205352529.db2.gz UCWMYGSQKMIJJS-UHFFFAOYSA-N 1 1 359.433 2.127 50 30 FEEAMO Cc1ccc(C#N)c(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000230196837 132289223 /nfs/dbraw/zinc/28/92/23/132289223.db2.gz JIAZOXPXDFXEMV-OAQYLSRUSA-N 1 1 367.497 2.175 50 30 FEEAMO C=CCN1CC[C@]2(C[N@@H+](C3Cc4ccccc4C3)CCN2C)CCC1=O ZINC000091440966 542807570 /nfs/dbraw/zinc/80/75/70/542807570.db2.gz NYPNDSWFAKXPMW-QFIPXVFZSA-N 1 1 353.510 2.339 50 30 FEEAMO C=CCN1CC[C@]2(CN(C3Cc4ccccc4C3)CC[N@H+]2C)CCC1=O ZINC000091440966 542807572 /nfs/dbraw/zinc/80/75/72/542807572.db2.gz NYPNDSWFAKXPMW-QFIPXVFZSA-N 1 1 353.510 2.339 50 30 FEEAMO C=CCN1CC[C@]2(CN(C3Cc4ccccc4C3)CC[N@@H+]2C)CCC1=O ZINC000091440966 542807577 /nfs/dbraw/zinc/80/75/77/542807577.db2.gz NYPNDSWFAKXPMW-QFIPXVFZSA-N 1 1 353.510 2.339 50 30 FEEAMO N#CCC[C@H](C#N)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000225165082 526465286 /nfs/dbraw/zinc/46/52/86/526465286.db2.gz JBYZOCSPCCQTNG-YLJYHZDGSA-N 1 1 365.437 2.017 50 30 FEEAMO Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000091574371 527072940 /nfs/dbraw/zinc/07/29/40/527072940.db2.gz CSQOFNRLOMXMNX-SFHVURJKSA-N 1 1 361.453 2.311 50 30 FEEAMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000284479655 551558403 /nfs/dbraw/zinc/55/84/03/551558403.db2.gz GMWKZCJQPXYXSI-QAPCUYQASA-N 1 1 359.470 2.203 50 30 FEEAMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000284479655 551558406 /nfs/dbraw/zinc/55/84/06/551558406.db2.gz GMWKZCJQPXYXSI-QAPCUYQASA-N 1 1 359.470 2.203 50 30 FEEAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCCC[C@H]4CO)[C@H]3[C@@H]3O[C@]312 ZINC000004028564 539375097 /nfs/dbraw/zinc/37/50/97/539375097.db2.gz WVSCSEOKEKFLHB-QZSBMYPVSA-N 1 1 363.498 2.359 50 30 biogenic FEEAMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccco1 ZINC000010331053 539515922 /nfs/dbraw/zinc/51/59/22/539515922.db2.gz JJCFMFFKTSBIMI-AWEZNQCLSA-N 1 1 360.801 2.162 50 30 FEEAMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCOCC2)c1C#N ZINC000022386346 539694231 /nfs/dbraw/zinc/69/42/31/539694231.db2.gz QMJCXXNWTSOOOH-UHFFFAOYSA-N 1 1 356.426 2.279 50 30 FEEAMO C=CC[N@@H+](C)Cc1ccc(OC[C@@H](O)CN2CCSCC2)c(OC)c1 ZINC000095501700 542974991 /nfs/dbraw/zinc/97/49/91/542974991.db2.gz NMLLWACBHFKCNG-KRWDZBQOSA-N 1 1 366.527 2.102 50 30 FEEAMO C=CC[N@H+](C)Cc1ccc(OC[C@@H](O)CN2CCSCC2)c(OC)c1 ZINC000095501700 542974992 /nfs/dbraw/zinc/97/49/92/542974992.db2.gz NMLLWACBHFKCNG-KRWDZBQOSA-N 1 1 366.527 2.102 50 30 FEEAMO COc1nccc(N2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)c1C#N ZINC000106994512 537145960 /nfs/dbraw/zinc/14/59/60/537145960.db2.gz NRMAHBXTVZFQEF-KRWDZBQOSA-N 1 1 370.428 2.174 50 30 FEEAMO COc1nccc(N2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)c1C#N ZINC000106994512 537145962 /nfs/dbraw/zinc/14/59/62/537145962.db2.gz NRMAHBXTVZFQEF-KRWDZBQOSA-N 1 1 370.428 2.174 50 30 FEEAMO O=c1[nH]c(-[n+]2ccccc2)c(C=NNC(=S)Nc2ccccc2)s1 ZINC000013142166 539584261 /nfs/dbraw/zinc/58/42/61/539584261.db2.gz WMOKSXMMLSWEIA-UHFFFAOYSA-O 1 1 356.456 2.034 50 30 FEEAMO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000082050196 542683226 /nfs/dbraw/zinc/68/32/26/542683226.db2.gz HKYPOKFMOKXADA-UHFFFAOYSA-N 1 1 373.409 2.381 50 30 FEEAMO CCc1cnc(C)nc1N1CC[NH+](Cc2cc(C#CCO)cs2)CC1 ZINC000065394166 132305696 /nfs/dbraw/zinc/30/56/96/132305696.db2.gz KMNWJSHTXJCLKV-UHFFFAOYSA-N 1 1 356.495 2.075 50 30 FEEAMO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020405857 526676360 /nfs/dbraw/zinc/67/63/60/526676360.db2.gz DFLPYMOJQOHVCB-IBGZPJMESA-N 1 1 355.413 2.259 50 30 FEEAMO N#Cc1nccnc1-c1cccc(-c2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000020637130 526793636 /nfs/dbraw/zinc/79/36/36/526793636.db2.gz KCOVWEYBBFWBHL-UHFFFAOYSA-N 1 1 360.421 2.211 50 30 FEEAMO CN1CC[C@@H]([N@@H+](C)CCC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000426477194 570606357 /nfs/dbraw/zinc/60/63/57/570606357.db2.gz JQGRTPKUFIJVMV-LJQANCHMSA-N 1 1 354.498 2.096 50 30 FEEAMO CN(CCC(=O)N1CCC(C#N)(c2ccccc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000426477194 570606359 /nfs/dbraw/zinc/60/63/59/570606359.db2.gz JQGRTPKUFIJVMV-LJQANCHMSA-N 1 1 354.498 2.096 50 30 FEEAMO CN(CCC(=O)N1CCC(C#N)(c2ccccc2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000426477194 570606363 /nfs/dbraw/zinc/60/63/63/570606363.db2.gz JQGRTPKUFIJVMV-LJQANCHMSA-N 1 1 354.498 2.096 50 30 FEEAMO C=C(C)C[NH2+]Cc1ccc(OC[C@@H](O)CN2CCSCC2)c(OC)c1 ZINC000014979908 670010188 /nfs/dbraw/zinc/01/01/88/670010188.db2.gz UKPPGXQDOWGLKD-KRWDZBQOSA-N 1 1 366.527 2.149 50 30 FEEAMO COc1ccc(-c2cnc3nc(/N=C/N(C)C)nn3c2/[NH+]=C/N(C)C)cc1 ZINC000017723456 539643270 /nfs/dbraw/zinc/64/32/70/539643270.db2.gz STHVRRJPUDSEFZ-HGEIODPWSA-N 1 1 366.429 2.243 50 30 FEEAMO Cc1c2c(n3c4ccccc4nc3c1C#N)N(CC[NH+]1CCOCC1)CC2 ZINC000020029234 539671483 /nfs/dbraw/zinc/67/14/83/539671483.db2.gz IVPXCZPECLZCAZ-UHFFFAOYSA-N 1 1 361.449 2.362 50 30 FEEAMO Cc1cccc(CN2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000023254260 539710061 /nfs/dbraw/zinc/71/00/61/539710061.db2.gz RRXTUCXYTRUTCN-OAQYLSRUSA-N 1 1 365.477 2.424 50 30 FEEAMO CCOc1ccccc1C[N@@H+]1CCN(c2ncccc2C#N)C[C@@H]1CCO ZINC000072480915 136149725 /nfs/dbraw/zinc/14/97/25/136149725.db2.gz DHMLHECOQXDINQ-IBGZPJMESA-N 1 1 366.465 2.425 50 30 FEEAMO CCOc1ccccc1C[N@H+]1CCN(c2ncccc2C#N)C[C@@H]1CCO ZINC000072480915 136149726 /nfs/dbraw/zinc/14/97/26/136149726.db2.gz DHMLHECOQXDINQ-IBGZPJMESA-N 1 1 366.465 2.425 50 30 FEEAMO COc1ccc2c3c1O[C@@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C#N)C2 ZINC000166894320 546157852 /nfs/dbraw/zinc/15/78/52/546157852.db2.gz JWGQNJUNBCBJCO-GEAUKGQYSA-N 1 1 364.445 2.439 50 30 FEEAMO Cc1cc(C)c(C#N)c(-c2ccc(C(=O)N[C@@H]3C[C@@H](CO)[N@@H+](C)C3)cc2)n1 ZINC000426525926 559736899 /nfs/dbraw/zinc/73/68/99/559736899.db2.gz APUMSFAIBZHOAR-MSOLQXFVSA-N 1 1 364.449 2.032 50 30 FEEAMO CC[N@@H+](Cc1ccc(C(=O)Nc2sccc2C#N)cc1)[C@H]1COC[C@@H]1O ZINC000065493194 541241050 /nfs/dbraw/zinc/24/10/50/541241050.db2.gz ITCNFMNZZSJSPK-IRXDYDNUSA-N 1 1 371.462 2.454 50 30 FEEAMO CCN1CC[C@]2(CN(c3nc(C)cc(C)c3C#N)CC[N@H+]2C)CCC1=O ZINC000095375881 132209210 /nfs/dbraw/zinc/20/92/10/132209210.db2.gz HIVKRZMNHDLLMA-FQEVSTJZSA-N 1 1 355.486 2.093 50 30 FEEAMO CC(C)=CC[N@H+]1CCN(Cc2ccc(C#CCCO)cc2)C[C@@H]1CCO ZINC000020234009 519426670 /nfs/dbraw/zinc/42/66/70/519426670.db2.gz DVPNCROACUDKKC-QFIPXVFZSA-N 1 1 356.510 2.255 50 30 FEEAMO CC(C)=CCN1CC[N@H+](Cc2ccc(C#CCCO)cc2)C[C@@H]1CCO ZINC000020234009 519426677 /nfs/dbraw/zinc/42/66/77/519426677.db2.gz DVPNCROACUDKKC-QFIPXVFZSA-N 1 1 356.510 2.255 50 30 FEEAMO CC(C)=CCN1CC[N@@H+](Cc2ccc(C#CCCO)cc2)C[C@@H]1CCO ZINC000020234009 519426683 /nfs/dbraw/zinc/42/66/83/519426683.db2.gz DVPNCROACUDKKC-QFIPXVFZSA-N 1 1 356.510 2.255 50 30 FEEAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCCN(C(=O)C2=CC(=O)CC(C)(C)O2)C1 ZINC000011668047 522964954 /nfs/dbraw/zinc/96/49/54/522964954.db2.gz SQOZSCFOIFMDTQ-QGZVFWFLSA-N 1 1 371.481 2.199 50 30 FEEAMO COc1nccc(N2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)c1C#N ZINC000072419465 537145920 /nfs/dbraw/zinc/14/59/20/537145920.db2.gz XBVHRPYQVPEVST-QGZVFWFLSA-N 1 1 352.438 2.035 50 30 FEEAMO Cn1nc2c(c1NC(=O)c1ccc(C[NH+]3CCN(C)CC3)cc1)CCC2 ZINC000329183742 553897227 /nfs/dbraw/zinc/89/72/27/553897227.db2.gz FSBYOHWEIBTVBI-UHFFFAOYSA-N 1 1 353.470 2.293 50 30 FEEAMO C=CCOc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2CO)cc1OCC ZINC000055168675 540632873 /nfs/dbraw/zinc/63/28/73/540632873.db2.gz CMNZRMBURVMPKE-KRWDZBQOSA-N 1 1 362.470 2.227 50 30 FEEAMO CCC[NH+]1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]CCCOC)CC1 ZINC000065308255 541233459 /nfs/dbraw/zinc/23/34/59/541233459.db2.gz WEZJXAOHPQBLFV-UHFFFAOYSA-N 1 1 362.474 2.026 50 30 FEEAMO COCc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)ccc1OC ZINC000065408878 541236884 /nfs/dbraw/zinc/23/68/84/541236884.db2.gz BJSNDAWSWCIOTJ-UHFFFAOYSA-N 1 1 352.438 2.430 50 30 FEEAMO N#Cc1ccc(NC(=O)CCC[N@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000071762552 541771269 /nfs/dbraw/zinc/77/12/69/541771269.db2.gz YOEWVAAWGPVUQF-GOSISDBHSA-N 1 1 354.454 2.364 50 30 FEEAMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000032858080 208049226 /nfs/dbraw/zinc/04/92/26/208049226.db2.gz DMEIRTCNEQXMCX-HNNXBMFYSA-N 1 1 354.454 2.220 50 30 FEEAMO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCN(Cc2ccccc2C#N)CC1 ZINC000095379814 209040142 /nfs/dbraw/zinc/04/01/42/209040142.db2.gz NBYHTFNJGRNWAQ-FQEVSTJZSA-N 1 1 354.498 2.467 50 30 FEEAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C#N)cc2)C[N@H+]1CC1CCCC1 ZINC000092098496 542845802 /nfs/dbraw/zinc/84/58/02/542845802.db2.gz JWNJXDNCZDUCRC-OALUTQOASA-N 1 1 368.481 2.057 50 30 FEEAMO CN1CC[NH+](CCCOc2ccccc2CN2CCC[C@@H](C#N)C2)CC1 ZINC000216196290 548675870 /nfs/dbraw/zinc/67/58/70/548675870.db2.gz JTDASDURFMOAMZ-IBGZPJMESA-N 1 1 356.514 2.438 50 30 FEEAMO C=C(C)C[N@H+](C)C[C@@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O ZINC000067489672 541470678 /nfs/dbraw/zinc/47/06/78/541470678.db2.gz XVGQDUUDNLBOQH-FQEVSTJZSA-N 1 1 362.470 2.065 50 30 FEEAMO Cc1[nH+]ccn1CC1CCN(C(=O)c2ccc(C#CC(C)(C)O)o2)CC1 ZINC000223233639 209168294 /nfs/dbraw/zinc/16/82/94/209168294.db2.gz JITRXVFUPWXDBH-UHFFFAOYSA-N 1 1 355.438 2.459 50 30 FEEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000032858078 208048274 /nfs/dbraw/zinc/04/82/74/208048274.db2.gz DMEIRTCNEQXMCX-OAHLLOKOSA-N 1 1 354.454 2.220 50 30 FEEAMO C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCC3(CC1)C(=O)NCCC[N@@H+]3C)C2 ZINC000067966361 208205896 /nfs/dbraw/zinc/20/58/96/208205896.db2.gz GOYMEMYUPABIAQ-JXFKEZNVSA-N 1 1 359.514 2.182 50 30 FEEAMO CCn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCOC)C3)C2)cc1C#N ZINC000077319081 542367045 /nfs/dbraw/zinc/36/70/45/542367045.db2.gz UUXAKTMAWKCAHA-HXUWFJFHSA-N 1 1 358.486 2.231 50 30 FEEAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCSC[C@@H]3C#N)cc2)C[C@H](C)O1 ZINC000095460642 209053653 /nfs/dbraw/zinc/05/36/53/209053653.db2.gz PAURRBJAQBJUQW-DAYGRLMNSA-N 1 1 359.495 2.377 50 30 FEEAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCSC[C@@H]3C#N)cc2)C[C@H](C)O1 ZINC000095460642 209053659 /nfs/dbraw/zinc/05/36/59/209053659.db2.gz PAURRBJAQBJUQW-DAYGRLMNSA-N 1 1 359.495 2.377 50 30 FEEAMO Cc1ccc(NC(=O)N2CCN(C[C@H]3CCC[N@H+](C)C3)CC2)cc1C#N ZINC000095502710 209062734 /nfs/dbraw/zinc/06/27/34/209062734.db2.gz VULZVOLKFALDKF-KRWDZBQOSA-N 1 1 355.486 2.358 50 30 FEEAMO OCCC#Cc1ccc(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)cc1 ZINC000065380385 132305849 /nfs/dbraw/zinc/30/58/49/132305849.db2.gz WXXGNKVTSJQIQP-UHFFFAOYSA-N 1 1 356.857 2.186 50 30 FEEAMO C=CC[C@@]1(CO)CCCN(C(=O)C2([NH+]3CCOCC3)CCCCC2)C1 ZINC000091593397 542814241 /nfs/dbraw/zinc/81/42/41/542814241.db2.gz WPFJDMCTXCZZFL-LJQANCHMSA-N 1 1 350.503 2.199 50 30 FEEAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CCCC[C@H]4CO)[C@H]3[C@@H]3O[C@]312 ZINC000105366558 543172327 /nfs/dbraw/zinc/17/23/27/543172327.db2.gz WVSCSEOKEKFLHB-KXCZEBDGSA-N 1 1 363.498 2.359 50 30 FEEAMO COC(=O)c1ccccc1NC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000031809198 263392500 /nfs/dbraw/zinc/39/25/00/263392500.db2.gz PHWJWNOQHJEFST-UHFFFAOYSA-N 1 1 368.437 2.274 50 30 FEEAMO C[NH+]=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000025539683 523669876 /nfs/dbraw/zinc/66/98/76/523669876.db2.gz YPPJRLSYDJOQMK-UHFFFAOYSA-N 1 1 359.451 2.005 50 30 FEEAMO c1cc(C2=NN/C(=N\CCC[NH+]3CCOCC3)SC2)cc2c1CCC2 ZINC000012793358 539574526 /nfs/dbraw/zinc/57/45/26/539574526.db2.gz ZDFWJXWQSAXFNU-UHFFFAOYSA-N 1 1 358.511 2.294 50 30 FEEAMO CC1(C)Cc2c(C#N)c(N)n(CCC[NH+]3CCOCC3)c(=S)c2CO1 ZINC000020622186 539676797 /nfs/dbraw/zinc/67/67/97/539676797.db2.gz ZKKZXOHTYLXGJN-UHFFFAOYSA-N 1 1 362.499 2.245 50 30 FEEAMO C=CCn1cc(CN2CC[N@H+](C)C3(CCN(C(=O)C(C)(C)C)CC3)C2)cn1 ZINC000067726372 208108459 /nfs/dbraw/zinc/10/84/59/208108459.db2.gz CXNRKTXRSICHRW-UHFFFAOYSA-N 1 1 373.545 2.224 50 30 FEEAMO C[C@@H]1C[N@H+](CCCNC(=O)CSCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000040120883 208232746 /nfs/dbraw/zinc/23/27/46/208232746.db2.gz XXJRQJZPQJPZDI-IYBDPMFKSA-N 1 1 361.511 2.407 50 30 FEEAMO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)Cc2ccccc2C#N)cn1 ZINC000095466397 209055421 /nfs/dbraw/zinc/05/54/21/209055421.db2.gz FIZBHTAITVNYTE-UHFFFAOYSA-N 1 1 353.407 2.389 50 30 FEEAMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000040110353 136119360 /nfs/dbraw/zinc/11/93/60/136119360.db2.gz BSPSECGNRGDNHD-CALCHBBNSA-N 1 1 369.513 2.264 50 30 FEEAMO N#Cc1ccc(C[N@H+]2CCCN(CN3c4ccccc4C(=O)C3=O)CC2)cc1 ZINC000023248847 539710147 /nfs/dbraw/zinc/71/01/47/539710147.db2.gz SQJCCMIILVDPMS-UHFFFAOYSA-N 1 1 374.444 2.253 50 30 FEEAMO N#Cc1ccc(C[N@@H+]2CCCN(CN3c4ccccc4C(=O)C3=O)CC2)cc1 ZINC000023248847 539710151 /nfs/dbraw/zinc/71/01/51/539710151.db2.gz SQJCCMIILVDPMS-UHFFFAOYSA-N 1 1 374.444 2.253 50 30 FEEAMO N#Cc1ccc(C[N@H+]2CCCN(Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000032873645 208050875 /nfs/dbraw/zinc/05/08/75/208050875.db2.gz FQXQBFJITSEDST-UHFFFAOYSA-N 1 1 373.464 2.242 50 30 FEEAMO O=C1[C@H]2CC[C@H](C[N@H+](Cc3cc(C#CCO)cs3)C2)N1CC1CCC1 ZINC000091596110 542815105 /nfs/dbraw/zinc/81/51/05/542815105.db2.gz OFZWPBABAOCFOE-ZWKOTPCHSA-N 1 1 358.507 2.315 50 30 FEEAMO C#CC(CC)(CC)NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000014708334 518239048 /nfs/dbraw/zinc/23/90/48/518239048.db2.gz AIWHQKVHJJQWPC-UHFFFAOYSA-N 1 1 355.482 2.189 50 30 FEEAMO C#CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000095365001 518272226 /nfs/dbraw/zinc/27/22/26/518272226.db2.gz NGKFDLHGBRTKAV-IBGZPJMESA-N 1 1 353.466 2.027 50 30 FEEAMO C#CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000095365001 518272232 /nfs/dbraw/zinc/27/22/32/518272232.db2.gz NGKFDLHGBRTKAV-IBGZPJMESA-N 1 1 353.466 2.027 50 30 FEEAMO C#CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000058424290 518272255 /nfs/dbraw/zinc/27/22/55/518272255.db2.gz QDQJSSPCZBFLIG-HNAYVOBHSA-N 1 1 361.436 2.395 50 30 FEEAMO C#CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000058424290 518272264 /nfs/dbraw/zinc/27/22/64/518272264.db2.gz QDQJSSPCZBFLIG-HNAYVOBHSA-N 1 1 361.436 2.395 50 30 FEEAMO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000008037735 519031418 /nfs/dbraw/zinc/03/14/18/519031418.db2.gz SSBKKQIQUJECOR-UHFFFAOYSA-N 1 1 353.422 2.421 50 30 FEEAMO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000008037735 519031421 /nfs/dbraw/zinc/03/14/21/519031421.db2.gz SSBKKQIQUJECOR-UHFFFAOYSA-N 1 1 353.422 2.421 50 30 FEEAMO COc1ccc(C(=[NH2+])NOC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000018106625 523369714 /nfs/dbraw/zinc/36/97/14/523369714.db2.gz FICIWYJJZRLBFK-UHFFFAOYSA-N 1 1 359.338 2.398 50 30 FEEAMO C=CCN1CC[C@]2(CN(Cc3cccc(OC)c3)CC[N@H+]2C)CCC1=O ZINC000091494545 210073788 /nfs/dbraw/zinc/07/37/88/210073788.db2.gz LYOWBSYSXBSBET-NRFANRHFSA-N 1 1 357.498 2.380 50 30 FEEAMO C=CCc1cc(C[NH+]2CCN(c3ncc(C)c(N)n3)CC2)ccc1OC ZINC000065375098 541235366 /nfs/dbraw/zinc/23/53/66/541235366.db2.gz AQQGOSGDFQTIKZ-UHFFFAOYSA-N 1 1 353.470 2.427 50 30 FEEAMO C=C(C)COc1cccc(C(=O)N2CCC3(CC2)C[N@H+](C)CCN3C)c1 ZINC000067821864 541517372 /nfs/dbraw/zinc/51/73/72/541517372.db2.gz CNWGWVQJQSEFRV-UHFFFAOYSA-N 1 1 357.498 2.494 50 30 FEEAMO C=C(C)COc1cccc(C(=O)N2CCC3(CC2)CN(C)CC[N@@H+]3C)c1 ZINC000067821864 541517374 /nfs/dbraw/zinc/51/73/74/541517374.db2.gz CNWGWVQJQSEFRV-UHFFFAOYSA-N 1 1 357.498 2.494 50 30 FEEAMO C=C(C)COc1cccc(C(=O)N2CCC3(CC2)CN(C)CC[N@H+]3C)c1 ZINC000067821864 541517377 /nfs/dbraw/zinc/51/73/77/541517377.db2.gz CNWGWVQJQSEFRV-UHFFFAOYSA-N 1 1 357.498 2.494 50 30 FEEAMO O=C(NCC#CC[N@@H+]1CCc2ccccc2C1)c1ccc2nsnc2c1 ZINC000075165043 542157592 /nfs/dbraw/zinc/15/75/92/542157592.db2.gz KIGMDZKMOSCQIP-UHFFFAOYSA-N 1 1 362.458 2.483 50 30 FEEAMO O=C(NCC#CC[N@H+]1CCc2ccccc2C1)c1ccc2nsnc2c1 ZINC000075165043 542157595 /nfs/dbraw/zinc/15/75/95/542157595.db2.gz KIGMDZKMOSCQIP-UHFFFAOYSA-N 1 1 362.458 2.483 50 30 FEEAMO CC[NH+]1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)CC1 ZINC000020112151 220312946 /nfs/dbraw/zinc/31/29/46/220312946.db2.gz PWZIDACZWRSZDD-DOVHUEEUSA-N 1 1 362.514 2.151 50 30 FEEAMO Cc1ccccc1[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[NH+](C)C ZINC000095366105 132208285 /nfs/dbraw/zinc/20/82/85/132208285.db2.gz VHFZWLRZSNFMPJ-FQEVSTJZSA-N 1 1 363.465 2.213 50 30 FEEAMO Cn1c(Cn2cccn2)nnc1[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000091951226 542833988 /nfs/dbraw/zinc/83/39/88/542833988.db2.gz MMKLUSRQVXQYRX-SFHVURJKSA-N 1 1 361.453 2.311 50 30 FEEAMO CCOc1ccccc1C[N@@H+]1CCN(c2ccc(C#N)cn2)C[C@@H]1CCO ZINC000072420466 136145867 /nfs/dbraw/zinc/14/58/67/136145867.db2.gz XWIJOVWRVOKBOK-IBGZPJMESA-N 1 1 366.465 2.425 50 30 FEEAMO CCOc1ccccc1C[N@H+]1CCN(c2ccc(C#N)cn2)C[C@@H]1CCO ZINC000072420466 136145868 /nfs/dbraw/zinc/14/58/68/136145868.db2.gz XWIJOVWRVOKBOK-IBGZPJMESA-N 1 1 366.465 2.425 50 30 FEEAMO C=CCOC[C@@H](O)C[N@H+](CCCOC)Cc1ccc(OC)c(OC)c1 ZINC000036095938 518982986 /nfs/dbraw/zinc/98/29/86/518982986.db2.gz GQNLFVUFKLESCV-KRWDZBQOSA-N 1 1 353.459 2.106 50 30 FEEAMO COc1nccc(N2CC[N@@H+](CCc3ccccc3)[C@@H](CCO)C2)c1C#N ZINC000106961096 537145931 /nfs/dbraw/zinc/14/59/31/537145931.db2.gz UFYJKOCDOCZEJB-SFHVURJKSA-N 1 1 366.465 2.078 50 30 FEEAMO N#CC1(c2ccccc2)CCN(C(=O)NCCC[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000426690254 559740243 /nfs/dbraw/zinc/74/02/43/559740243.db2.gz HQUMQLNUPJYYNL-IBGZPJMESA-N 1 1 370.497 2.100 50 30 FEEAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000026299047 539783198 /nfs/dbraw/zinc/78/31/98/539783198.db2.gz MQPKVVRHFFAPAD-LIRRHRJNSA-N 1 1 352.442 2.069 50 30 FEEAMO N#Cc1ccc(OCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000026485243 539788173 /nfs/dbraw/zinc/78/81/73/539788173.db2.gz UJMMHIBUUKAILU-UHFFFAOYSA-N 1 1 353.382 2.062 50 30 FEEAMO C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@H+]4CCC[C@@H]4C3)sc2C1 ZINC000023095829 211375584 /nfs/dbraw/zinc/37/55/84/211375584.db2.gz BQXPOWKWSSMFGL-ZIAGYGMSSA-N 1 1 358.511 2.463 50 30 FEEAMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccco1 ZINC000010331059 210356737 /nfs/dbraw/zinc/35/67/37/210356737.db2.gz JJCFMFFKTSBIMI-CQSZACIVSA-N 1 1 360.801 2.162 50 30 FEEAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(c3cc(C#N)ccn3)CC2)n1C ZINC000091680514 132202951 /nfs/dbraw/zinc/20/29/51/132202951.db2.gz BOXMJMUYIBCTPE-UHFFFAOYSA-N 1 1 362.441 2.019 50 30 FEEAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(c3cc(C#N)ccn3)C2)n1C ZINC000095383732 132209684 /nfs/dbraw/zinc/20/96/84/132209684.db2.gz HTFAGESUINFLQC-INIZCTEOSA-N 1 1 362.441 2.019 50 30 FEEAMO C#CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000058424292 518271302 /nfs/dbraw/zinc/27/13/02/518271302.db2.gz QDQJSSPCZBFLIG-KXBFYZLASA-N 1 1 361.436 2.395 50 30 FEEAMO C#CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000058424292 518271308 /nfs/dbraw/zinc/27/13/08/518271308.db2.gz QDQJSSPCZBFLIG-KXBFYZLASA-N 1 1 361.436 2.395 50 30 FEEAMO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000246276693 525135481 /nfs/dbraw/zinc/13/54/81/525135481.db2.gz SLTSERDVHMBIKL-YLJYHZDGSA-N 1 1 357.454 2.182 50 30 FEEAMO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000246276693 525135490 /nfs/dbraw/zinc/13/54/90/525135490.db2.gz SLTSERDVHMBIKL-YLJYHZDGSA-N 1 1 357.454 2.182 50 30 FEEAMO C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCC#CC[N@@H+](C)Cc1ccccc1 ZINC000085470629 525616604 /nfs/dbraw/zinc/61/66/04/525616604.db2.gz RVDYGOPAEPTUAN-UWJYYQICSA-N 1 1 364.445 2.467 50 30 FEEAMO OCC#Cc1csc(C[N@H+](CCN2CCOCC2)Cc2ccco2)c1 ZINC000055041895 527520999 /nfs/dbraw/zinc/52/09/99/527520999.db2.gz JOLAPMYPJCDLFX-UHFFFAOYSA-N 1 1 360.479 2.019 50 30 FEEAMO OCC#Cc1csc(C[N@@H+](CCN2CCOCC2)Cc2ccco2)c1 ZINC000055041895 527521002 /nfs/dbraw/zinc/52/10/02/527521002.db2.gz JOLAPMYPJCDLFX-UHFFFAOYSA-N 1 1 360.479 2.019 50 30 FEEAMO CCc1nn(C)c(CC)c1CC(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000328769914 553819929 /nfs/dbraw/zinc/81/99/29/553819929.db2.gz QWSCXTUVILRSDJ-UHFFFAOYSA-N 1 1 358.490 2.446 50 30 FEEAMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)NC1CC(F)(F)C1 ZINC000329176339 553896047 /nfs/dbraw/zinc/89/60/47/553896047.db2.gz LTVRYPBFAXZWCP-SWLSCSKDSA-N 1 1 355.433 2.447 50 30 FEEAMO C=CCN1CC[C@]2(CN(Cc3ccc(OC)c(O)c3)CC[N@H+]2C)CCC1=O ZINC000095364521 210083963 /nfs/dbraw/zinc/08/39/63/210083963.db2.gz ZHAJCYUZZKUYQB-NRFANRHFSA-N 1 1 373.497 2.086 50 30 FEEAMO COC1=C(OC)[C@]2(O)[C@H]3CCC[C@H]3[C@H]3CC[N@@H+](Cc4ccccc4)[C@]32C1=O ZINC000071786746 541772044 /nfs/dbraw/zinc/77/20/44/541772044.db2.gz BNDOKJIBUJFIRJ-LYHMAKQNSA-N 1 1 369.461 2.495 50 30 FEEAMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CC[NH+](C)CC2)c1C#N ZINC000022817073 211366540 /nfs/dbraw/zinc/36/65/40/211366540.db2.gz XCPHWBZLPQROTI-UHFFFAOYSA-N 1 1 365.481 2.211 50 30 FEEAMO N#Cc1cccnc1N1CC[NH+](C2CCN(Cc3ccco3)CC2)CC1 ZINC000065452229 221220201 /nfs/dbraw/zinc/22/02/01/221220201.db2.gz PLCLWQATBDHXDR-UHFFFAOYSA-N 1 1 351.454 2.333 50 30 FEEAMO C=CCN1CC[C@@]2(CN(c3cc(C4CC4)ncn3)CC[N@@H+]2C)CCC1=O ZINC000107648558 132373399 /nfs/dbraw/zinc/37/33/99/132373399.db2.gz PTNDUWGCWARCKS-HXUWFJFHSA-N 1 1 355.486 2.043 50 30 FEEAMO Cc1c(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cc(C#N)n1C ZINC000091586174 542813964 /nfs/dbraw/zinc/81/39/64/542813964.db2.gz IPHDQLLXFZZABJ-VQIMIIECSA-N 1 1 363.465 2.337 50 30 FEEAMO COc1nccc(N2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)c1C#N ZINC000106945281 537145898 /nfs/dbraw/zinc/14/58/98/537145898.db2.gz XBVHRPYQVPEVST-KRWDZBQOSA-N 1 1 352.438 2.035 50 30 FEEAMO COc1nccc(N2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)c1C#N ZINC000072481638 537146145 /nfs/dbraw/zinc/14/61/45/537146145.db2.gz DCUKTXBPJOALTG-CQSZACIVSA-N 1 1 358.467 2.097 50 30 FEEAMO COc1nccc(N2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)c1C#N ZINC000072481638 537146150 /nfs/dbraw/zinc/14/61/50/537146150.db2.gz DCUKTXBPJOALTG-CQSZACIVSA-N 1 1 358.467 2.097 50 30 FEEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H]1CCCO1 ZINC000245280879 548901652 /nfs/dbraw/zinc/90/16/52/548901652.db2.gz VGBUTUGSFPSDRN-QZTJIDSGSA-N 1 1 365.470 2.248 50 30 FEEAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cccc(-c2cccc(C#N)n2)c1 ZINC000426479717 559735376 /nfs/dbraw/zinc/73/53/76/559735376.db2.gz JPOHPUWCUPMQMP-OALUTQOASA-N 1 1 350.422 2.069 50 30 FEEAMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3nc(CNS(C)(=O)=O)cc3C2)CC1 ZINC000426590035 559738488 /nfs/dbraw/zinc/73/84/88/559738488.db2.gz UBCWBBFBTNDPQB-MRXNPFEDSA-N 1 1 364.515 2.051 50 30 FEEAMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3nc(CNS(C)(=O)=O)cc3C2)CC1 ZINC000426590035 559738489 /nfs/dbraw/zinc/73/84/89/559738489.db2.gz UBCWBBFBTNDPQB-MRXNPFEDSA-N 1 1 364.515 2.051 50 30 FEEAMO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000027543589 210163230 /nfs/dbraw/zinc/16/32/30/210163230.db2.gz WUDYMNPSLKBGSK-CYBMUJFWSA-N 1 1 356.392 2.303 50 30 FEEAMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000027543589 210163226 /nfs/dbraw/zinc/16/32/26/210163226.db2.gz WUDYMNPSLKBGSK-CYBMUJFWSA-N 1 1 356.392 2.303 50 30 FEEAMO C=C(C)C[N@H+](CC)[C@@H]1CCc2c(c(C(=O)N3CCSCC3)nn2C)C1 ZINC000014755478 210146762 /nfs/dbraw/zinc/14/67/62/210146762.db2.gz LJWZWCHUPTYBKU-OAHLLOKOSA-N 1 1 362.543 2.364 50 30 FEEAMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801250 540490211 /nfs/dbraw/zinc/49/02/11/540490211.db2.gz QEHMOCVNLNXUJO-HNNXBMFYSA-N 1 1 371.485 2.083 50 30 FEEAMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801250 540490212 /nfs/dbraw/zinc/49/02/12/540490212.db2.gz QEHMOCVNLNXUJO-HNNXBMFYSA-N 1 1 371.485 2.083 50 30 FEEAMO Cc1[nH+]ccn1C[C@H](O)Cn1c2ccccc2n2c1c(C#N)c(C)cc2=O ZINC000002708658 210414502 /nfs/dbraw/zinc/41/45/02/210414502.db2.gz VISFBHQSVARGBX-HNNXBMFYSA-N 1 1 361.405 2.000 50 30 FEEAMO CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)cc3)C2)cn1 ZINC000065267456 221191375 /nfs/dbraw/zinc/19/13/75/221191375.db2.gz PBEGSQCHBYTCJF-SFHVURJKSA-N 1 1 350.422 2.356 50 30 FEEAMO CCOc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)cc3)C2)cn1 ZINC000065267456 221191378 /nfs/dbraw/zinc/19/13/78/221191378.db2.gz PBEGSQCHBYTCJF-SFHVURJKSA-N 1 1 350.422 2.356 50 30 FEEAMO C=CCOc1ccccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](CCO)C1 ZINC000104332538 222355353 /nfs/dbraw/zinc/35/53/53/222355353.db2.gz HIRUFTJPSUKHAP-OAQYLSRUSA-N 1 1 373.541 2.214 50 30 FEEAMO C=CCOc1ccccc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](CCO)C1 ZINC000104332538 222355356 /nfs/dbraw/zinc/35/53/56/222355356.db2.gz HIRUFTJPSUKHAP-OAQYLSRUSA-N 1 1 373.541 2.214 50 30 FEEAMO CCC#CCN1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082138587 521057333 /nfs/dbraw/zinc/05/73/33/521057333.db2.gz OPXQRSRRVCHXEX-IBGZPJMESA-N 1 1 368.525 2.288 50 30 FEEAMO COc1nccc(N2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)c1C#N ZINC000107014959 537145887 /nfs/dbraw/zinc/14/58/87/537145887.db2.gz DCUKTXBPJOALTG-AWEZNQCLSA-N 1 1 358.467 2.097 50 30 FEEAMO COc1nccc(N2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)c1C#N ZINC000107014959 537145889 /nfs/dbraw/zinc/14/58/89/537145889.db2.gz DCUKTXBPJOALTG-AWEZNQCLSA-N 1 1 358.467 2.097 50 30 FEEAMO N#Cc1ccc(NC(=O)CCC[N@H+]2CCCN(c3ncccn3)CC2)cc1 ZINC000244774096 548895250 /nfs/dbraw/zinc/89/52/50/548895250.db2.gz PNWKKHZMENLUKS-UHFFFAOYSA-N 1 1 364.453 2.279 50 30 FEEAMO C#CCC[NH+]1CCN(C(=O)c2cc(OC)ccc2Br)CC1 ZINC000058355925 210074342 /nfs/dbraw/zinc/07/43/42/210074342.db2.gz ZAOGKOKGNHRAKF-UHFFFAOYSA-N 1 1 351.244 2.239 50 30 FEEAMO COc1ccc(OCC[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000024588140 539734716 /nfs/dbraw/zinc/73/47/16/539734716.db2.gz QXUWNLAXRKENPP-KRWDZBQOSA-N 1 1 356.422 2.317 50 30 FEEAMO COCCN1C[C@@]2(CCC[N@@H+](Cc3cc(C#N)n(C)c3C)C2)CCC1=O ZINC000077538231 542394413 /nfs/dbraw/zinc/39/44/13/542394413.db2.gz VDSLVPBRJOOANU-FQEVSTJZSA-N 1 1 358.486 2.056 50 30 FEEAMO N#Cc1cccnc1N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071730437 136139808 /nfs/dbraw/zinc/13/98/08/136139808.db2.gz LQUBFTKTVGVWIF-SFHVURJKSA-N 1 1 367.497 2.256 50 30 FEEAMO N#Cc1ccc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)nc1 ZINC000071767769 136140955 /nfs/dbraw/zinc/14/09/55/136140955.db2.gz IXAIBNURZITPOJ-GOSISDBHSA-N 1 1 367.497 2.256 50 30 FEEAMO CCOc1ccccc1C[N@@H+]1CCN(c2cccc(C#N)n2)C[C@@H]1CCO ZINC000072475852 136149159 /nfs/dbraw/zinc/14/91/59/136149159.db2.gz FQLFVOZUJRVQLZ-IBGZPJMESA-N 1 1 366.465 2.425 50 30 FEEAMO CCOc1ccccc1C[N@H+]1CCN(c2cccc(C#N)n2)C[C@@H]1CCO ZINC000072475852 136149160 /nfs/dbraw/zinc/14/91/60/136149160.db2.gz FQLFVOZUJRVQLZ-IBGZPJMESA-N 1 1 366.465 2.425 50 30 FEEAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C#N)nc1)CC2 ZINC000095512011 542978248 /nfs/dbraw/zinc/97/82/48/542978248.db2.gz JWDSARRTFQZMON-UHFFFAOYSA-N 1 1 364.453 2.076 50 30 FEEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103498 518306450 /nfs/dbraw/zinc/30/64/50/518306450.db2.gz XGWFUHUIIXVAQX-INIZCTEOSA-N 1 1 359.447 2.490 50 30 FEEAMO C=CCN1CC[C@]2(CN(c3cc(C4CC4)ncn3)CC[N@@H+]2C)CCC1=O ZINC000091440618 534853362 /nfs/dbraw/zinc/85/33/62/534853362.db2.gz PTNDUWGCWARCKS-FQEVSTJZSA-N 1 1 355.486 2.043 50 30 FEEAMO CCn1cc([C@H]2OCC[C@@H]2C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cn1 ZINC000328720360 553812188 /nfs/dbraw/zinc/81/21/88/553812188.db2.gz GRXGJJPKUBYNCK-DLBZAZTESA-N 1 1 372.473 2.340 50 30 FEEAMO [NH2+]=C(NOC(=O)c1ccco1)c1ccc(I)cc1 ZINC000004825652 539393227 /nfs/dbraw/zinc/39/32/27/539393227.db2.gz NEWUKPASVMNHMW-UHFFFAOYSA-N 1 1 356.119 2.362 50 30 FEEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103580 518306730 /nfs/dbraw/zinc/30/67/30/518306730.db2.gz XWLVVUDKWLSIKN-IBGZPJMESA-N 1 1 353.418 2.428 50 30 FEEAMO C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCC#CC[N@@H+](C)Cc1ccccc1 ZINC000085470627 525067911 /nfs/dbraw/zinc/06/79/11/525067911.db2.gz RVDYGOPAEPTUAN-UTKZUKDTSA-N 1 1 364.445 2.467 50 30 FEEAMO COc1nccc(N2CC[N@@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)c1C#N ZINC000072410522 537146252 /nfs/dbraw/zinc/14/62/52/537146252.db2.gz MQPZKZZMKLERSS-SFHVURJKSA-N 1 1 366.465 2.344 50 30 FEEAMO CC(C)C[N@H+]1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@@H]1CCO ZINC000019720725 210156521 /nfs/dbraw/zinc/15/65/21/210156521.db2.gz GWJWKHBCSBIDAQ-NRFANRHFSA-N 1 1 358.526 2.334 50 30 FEEAMO [NH2+]=C(NOC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000009156367 539498638 /nfs/dbraw/zinc/49/86/38/539498638.db2.gz YWHJDOJXWJKCBL-ZDUSSCGKSA-N 1 1 361.785 2.401 50 30 FEEAMO C=CCOc1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)cc1OCC ZINC000055168673 210067836 /nfs/dbraw/zinc/06/78/36/210067836.db2.gz CMNZRMBURVMPKE-QGZVFWFLSA-N 1 1 362.470 2.227 50 30 FEEAMO COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000024536186 539734089 /nfs/dbraw/zinc/73/40/89/539734089.db2.gz JKMJRHODEJCSRB-GOSISDBHSA-N 1 1 365.433 2.336 50 30 FEEAMO Cc1cc[n+](-c2[nH]c(=O)sc2C=NNC(=S)Nc2ccccc2)cc1 ZINC000013496585 211037653 /nfs/dbraw/zinc/03/76/53/211037653.db2.gz UJFZFQBBZUDIIV-UHFFFAOYSA-O 1 1 370.483 2.342 50 30 FEEAMO CC[NH+]1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)CC1 ZINC000020112157 220312641 /nfs/dbraw/zinc/31/26/41/220312641.db2.gz PWZIDACZWRSZDD-OVDOOKCHSA-N 1 1 362.514 2.151 50 30 FEEAMO COc1nccc(NCc2cccnc2N2CCC[N@@H+](C)CC2)c1C#N ZINC000067433803 221254002 /nfs/dbraw/zinc/25/40/02/221254002.db2.gz FAHUWBCGWARQTB-UHFFFAOYSA-N 1 1 352.442 2.111 50 30 FEEAMO CC[N@@H+]1CCc2c(C#N)c(NCc3ccccc3)nc(NCCO)c2C1 ZINC000005791281 518354897 /nfs/dbraw/zinc/35/48/97/518354897.db2.gz XEFHXANTZBMWQK-UHFFFAOYSA-N 1 1 351.454 2.348 50 30 FEEAMO CC[N@H+]1CCc2c(C#N)c(NCc3ccccc3)nc(NCCO)c2C1 ZINC000005791281 518354902 /nfs/dbraw/zinc/35/49/02/518354902.db2.gz XEFHXANTZBMWQK-UHFFFAOYSA-N 1 1 351.454 2.348 50 30 FEEAMO N#Cc1ccc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1 ZINC000012507318 539562668 /nfs/dbraw/zinc/56/26/68/539562668.db2.gz GVVWJKCIZJHKLY-KRWDZBQOSA-N 1 1 360.377 2.166 50 30 FEEAMO C=CCNC(=O)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908027 539702391 /nfs/dbraw/zinc/70/23/91/539702391.db2.gz ZQUIIWFXFPDZOZ-KRWDZBQOSA-N 1 1 369.490 2.266 50 30 FEEAMO C=CCNC(=O)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908027 539702394 /nfs/dbraw/zinc/70/23/94/539702394.db2.gz ZQUIIWFXFPDZOZ-KRWDZBQOSA-N 1 1 369.490 2.266 50 30 FEEAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000026299043 539782974 /nfs/dbraw/zinc/78/29/74/539782974.db2.gz MQPKVVRHFFAPAD-KUHUBIRLSA-N 1 1 352.442 2.069 50 30 FEEAMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000058209356 540833558 /nfs/dbraw/zinc/83/35/58/540833558.db2.gz GEBAHYTVBFVZJW-NUJGCVRESA-N 1 1 357.454 2.037 50 30 FEEAMO COC(=O)N1CCC2(CCC([N@@H+]3CCn4nc(C#N)cc4C3)CC2)CC1 ZINC000067446934 221254564 /nfs/dbraw/zinc/25/45/64/221254564.db2.gz RYQGDMGJOWYNEV-UHFFFAOYSA-N 1 1 357.458 2.362 50 30 FEEAMO COC(=O)N1CCC2(CCC([N@H+]3CCn4nc(C#N)cc4C3)CC2)CC1 ZINC000067446934 221254567 /nfs/dbraw/zinc/25/45/67/221254567.db2.gz RYQGDMGJOWYNEV-UHFFFAOYSA-N 1 1 357.458 2.362 50 30 FEEAMO CCCCc1nc(N2CC[NH+](CCO)CC2)c(C#N)c2c1COC(C)(C)C2 ZINC000095473927 132211500 /nfs/dbraw/zinc/21/15/00/132211500.db2.gz BFOIUJXYOQJJBU-UHFFFAOYSA-N 1 1 372.513 2.261 50 30 FEEAMO COC(=O)[C@H](C)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000106176856 523865962 /nfs/dbraw/zinc/86/59/62/523865962.db2.gz GSPTWXMEHZSEDY-FOIQADDNSA-N 1 1 357.454 2.106 50 30 FEEAMO C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC#CC[N@@H+](C)Cc1ccccc1 ZINC000085470625 525618730 /nfs/dbraw/zinc/61/87/30/525618730.db2.gz RVDYGOPAEPTUAN-LAUBAEHRSA-N 1 1 364.445 2.467 50 30 FEEAMO N#Cc1ccccc1OCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012809831 539575654 /nfs/dbraw/zinc/57/56/54/539575654.db2.gz RNYNVUUTPBFSHS-UHFFFAOYSA-N 1 1 365.433 2.086 50 30 FEEAMO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027303325 539804983 /nfs/dbraw/zinc/80/49/83/539804983.db2.gz NJFDJEVKFRPOHY-LBPRGKRZSA-N 1 1 357.376 2.101 50 30 FEEAMO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027303325 539804984 /nfs/dbraw/zinc/80/49/84/539804984.db2.gz NJFDJEVKFRPOHY-LBPRGKRZSA-N 1 1 357.376 2.101 50 30 FEEAMO COc1ccc2c3c1O[C@@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C#N)C2 ZINC000034542010 539977136 /nfs/dbraw/zinc/97/71/36/539977136.db2.gz JWGQNJUNBCBJCO-CYTOHMRRSA-N 1 1 364.445 2.439 50 30 FEEAMO C=C(C)C[N@H+](CC)[C@H]1CCc2c(c(C(=O)N3CCSCC3)nn2C)C1 ZINC000014755480 220132754 /nfs/dbraw/zinc/13/27/54/220132754.db2.gz LJWZWCHUPTYBKU-HNNXBMFYSA-N 1 1 362.543 2.364 50 30 FEEAMO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000067673691 221268667 /nfs/dbraw/zinc/26/86/67/221268667.db2.gz NLNFIFBNTVIPIB-GOSISDBHSA-N 1 1 368.481 2.093 50 30 FEEAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](Nc2nc(C)cc(C)c2C#N)[C@H](O)C1 ZINC000299761510 534356951 /nfs/dbraw/zinc/35/69/51/534356951.db2.gz TWHAQTYHCBVPHC-QZTJIDSGSA-N 1 1 355.442 2.222 50 30 FEEAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](Nc2nc(C)cc(C)c2C#N)[C@H](O)C1 ZINC000299761510 534356960 /nfs/dbraw/zinc/35/69/60/534356960.db2.gz TWHAQTYHCBVPHC-QZTJIDSGSA-N 1 1 355.442 2.222 50 30 FEEAMO C[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@H+]4CCC[C@H]4C3)sc2C1 ZINC000239025451 524432706 /nfs/dbraw/zinc/43/27/06/524432706.db2.gz BQXPOWKWSSMFGL-KBPBESRZSA-N 1 1 358.511 2.463 50 30 FEEAMO COc1nccc(N2CC[N@@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)c1C#N ZINC000106953352 537145804 /nfs/dbraw/zinc/14/58/04/537145804.db2.gz MQPZKZZMKLERSS-GOSISDBHSA-N 1 1 366.465 2.344 50 30 FEEAMO OCC#Cc1ccc(CN2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000216118986 548675851 /nfs/dbraw/zinc/67/58/51/548675851.db2.gz DTEJRSKXOBYTKL-UHFFFAOYSA-N 1 1 350.462 2.227 50 30 FEEAMO OCC#Cc1ccc(C[NH+]2CCN(CCOc3ccccc3)CC2)cc1 ZINC000216118986 548675855 /nfs/dbraw/zinc/67/58/55/548675855.db2.gz DTEJRSKXOBYTKL-UHFFFAOYSA-N 1 1 350.462 2.227 50 30 FEEAMO CC[N@H+]1CCCN(C(=O)c2ccc(-c3cnc4c(C#N)cnn4c3)cc2)CC1 ZINC000534671370 562540036 /nfs/dbraw/zinc/54/00/36/562540036.db2.gz XAGGZSCQGMIOGS-UHFFFAOYSA-N 1 1 374.448 2.436 50 30 FEEAMO Cc1cc[n+](-c2[nH]c(=O)sc2C=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004763247 539391975 /nfs/dbraw/zinc/39/19/75/539391975.db2.gz JFPJJOGUTUTOOL-UHFFFAOYSA-O 1 1 356.387 2.376 50 30 FEEAMO C=CCN(CC=C)C(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012711962 539570718 /nfs/dbraw/zinc/57/07/18/539570718.db2.gz IFAUPJBNCQBDFX-GOSISDBHSA-N 1 1 359.514 2.300 50 30 FEEAMO CC[NH+]1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)CC1 ZINC000020112155 220313592 /nfs/dbraw/zinc/31/35/92/220313592.db2.gz PWZIDACZWRSZDD-ZPMOIGASSA-N 1 1 362.514 2.151 50 30 FEEAMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1Cl ZINC000133283700 544262943 /nfs/dbraw/zinc/26/29/43/544262943.db2.gz UZEUXEIGIKNGFI-HOTGVXAUSA-N 1 1 360.845 2.283 50 30 FEEAMO N#Cc1ccc(NC(=O)CC[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1Cl ZINC000133283700 544262945 /nfs/dbraw/zinc/26/29/45/544262945.db2.gz UZEUXEIGIKNGFI-HOTGVXAUSA-N 1 1 360.845 2.283 50 30 FEEAMO C[N@@H+](CC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(C#N)cc1)C1CCCC1 ZINC000219770728 548696713 /nfs/dbraw/zinc/69/67/13/548696713.db2.gz HOBBLRXKYAUQQP-RTBURBONSA-N 1 1 357.454 2.085 50 30 FEEAMO COc1ccc2c3c1O[C@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C#N)C2 ZINC000252489673 549668877 /nfs/dbraw/zinc/66/88/77/549668877.db2.gz JWGQNJUNBCBJCO-RAXJWKBNSA-N 1 1 364.445 2.439 50 30 FEEAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCc1ccn(C)n1 ZINC000329514585 553960648 /nfs/dbraw/zinc/96/06/48/553960648.db2.gz LXRSWUKYBQSYFS-QGZVFWFLSA-N 1 1 355.486 2.473 50 30 FEEAMO CC(=O)Nc1ccc(C(=O)NCC#CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000075164984 542157948 /nfs/dbraw/zinc/15/79/48/542157948.db2.gz PWCIBIHZJPOZJS-UHFFFAOYSA-N 1 1 361.445 2.437 50 30 FEEAMO CC(=O)Nc1ccc(C(=O)NCC#CC[N@H+]2CCc3ccccc3C2)cc1 ZINC000075164984 542157953 /nfs/dbraw/zinc/15/79/53/542157953.db2.gz PWCIBIHZJPOZJS-UHFFFAOYSA-N 1 1 361.445 2.437 50 30 FEEAMO COCCN1C[C@]2(CCC[N@@H+](Cc3cc(C#N)n(C)c3C)C2)CCC1=O ZINC000077538233 542394309 /nfs/dbraw/zinc/39/43/09/542394309.db2.gz VDSLVPBRJOOANU-HXUWFJFHSA-N 1 1 358.486 2.056 50 30 FEEAMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000055403500 221069885 /nfs/dbraw/zinc/06/98/85/221069885.db2.gz CFCUVQQJLWWLBR-KBPBESRZSA-N 1 1 358.486 2.033 50 30 FEEAMO C=CCN1CC[C@@]2(CN(Cc3c[nH]c(CCCC)n3)CC[N@H+]2C)CCC1=O ZINC000217199547 518867744 /nfs/dbraw/zinc/86/77/44/518867744.db2.gz QAOZYIDFCYNACC-OAQYLSRUSA-N 1 1 373.545 2.437 50 30 FEEAMO C=CCN1CC[C@@]2(CN(Cc3cnc(CCCC)[nH]3)CC[N@@H+]2C)CCC1=O ZINC000217199547 518867756 /nfs/dbraw/zinc/86/77/56/518867756.db2.gz QAOZYIDFCYNACC-OAQYLSRUSA-N 1 1 373.545 2.437 50 30 FEEAMO C=CCN1CC[C@@]2(CN(Cc3cnc(CCCC)[nH]3)CC[N@H+]2C)CCC1=O ZINC000217199547 518867762 /nfs/dbraw/zinc/86/77/62/518867762.db2.gz QAOZYIDFCYNACC-OAQYLSRUSA-N 1 1 373.545 2.437 50 30 FEEAMO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[N@H+]3CCCC[C@@H]3CO)C(=O)O[C@@H]1C2 ZINC000252695144 525347587 /nfs/dbraw/zinc/34/75/87/525347587.db2.gz VQSWXEJDECKEJC-CYSZZNTHSA-N 1 1 363.498 2.360 50 30 FEEAMO N#Cc1ccnc(-c2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3CO)cc2)c1 ZINC000426485775 559735580 /nfs/dbraw/zinc/73/55/80/559735580.db2.gz PJNAARQJXNYZBK-IBGZPJMESA-N 1 1 364.449 2.197 50 30 FEEAMO CCCCCCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000048520861 221013661 /nfs/dbraw/zinc/01/36/61/221013661.db2.gz AOYNZVLZULGWHN-CYBMUJFWSA-N 1 1 360.462 2.161 50 30 FEEAMO COc1nccc(-c2cccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C3)c2)c1C#N ZINC000299788486 533222068 /nfs/dbraw/zinc/22/20/68/533222068.db2.gz PUYBSRAUEVVWIK-INIZCTEOSA-N 1 1 350.422 2.405 50 30 FEEAMO CCn1c(=O)[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000067673693 221268591 /nfs/dbraw/zinc/26/85/91/221268591.db2.gz NLNFIFBNTVIPIB-SFHVURJKSA-N 1 1 368.481 2.093 50 30 FEEAMO C[N@H+]1CCN(Cc2ccccc2C#N)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091807199 542827088 /nfs/dbraw/zinc/82/70/88/542827088.db2.gz CIMATBLYXSXDEH-QFIPXVFZSA-N 1 1 366.509 2.467 50 30 FEEAMO Cc1cc[nH+]c(N2CCN(S(=O)(=O)c3cccc(C)c3C#N)CC2)c1 ZINC000151306158 326679261 /nfs/dbraw/zinc/67/92/61/326679261.db2.gz OEWSHKRXCMXHKX-UHFFFAOYSA-N 1 1 356.451 2.081 50 30 FEEAMO C#CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000058250281 518271114 /nfs/dbraw/zinc/27/11/14/518271114.db2.gz AMDCDXRWTMEAHB-AWEZNQCLSA-N 1 1 355.360 2.127 50 30 FEEAMO C#CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000058250281 518271121 /nfs/dbraw/zinc/27/11/21/518271121.db2.gz AMDCDXRWTMEAHB-AWEZNQCLSA-N 1 1 355.360 2.127 50 30 FEEAMO CC(C)=CC[N@H+]1CCN(Cc2ccc(C#CCCO)cc2)C[C@H]1CCO ZINC000104491200 519428143 /nfs/dbraw/zinc/42/81/43/519428143.db2.gz DVPNCROACUDKKC-JOCHJYFZSA-N 1 1 356.510 2.255 50 30 FEEAMO CC(C)=CCN1CC[N@H+](Cc2ccc(C#CCCO)cc2)C[C@H]1CCO ZINC000104491200 519428150 /nfs/dbraw/zinc/42/81/50/519428150.db2.gz DVPNCROACUDKKC-JOCHJYFZSA-N 1 1 356.510 2.255 50 30 FEEAMO CC(C)=CCN1CC[N@@H+](Cc2ccc(C#CCCO)cc2)C[C@H]1CCO ZINC000104491200 519428159 /nfs/dbraw/zinc/42/81/59/519428159.db2.gz DVPNCROACUDKKC-JOCHJYFZSA-N 1 1 356.510 2.255 50 30 FEEAMO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000246276677 525737865 /nfs/dbraw/zinc/73/78/65/525737865.db2.gz SLTSERDVHMBIKL-XLIONFOSSA-N 1 1 357.454 2.182 50 30 FEEAMO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000246276677 525737873 /nfs/dbraw/zinc/73/78/73/525737873.db2.gz SLTSERDVHMBIKL-XLIONFOSSA-N 1 1 357.454 2.182 50 30 FEEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000012333516 539555188 /nfs/dbraw/zinc/55/51/88/539555188.db2.gz GSICFQBSBJBWIQ-HNNXBMFYSA-N 1 1 354.454 2.220 50 30 FEEAMO COc1ccc(OCC[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000024588137 539734783 /nfs/dbraw/zinc/73/47/83/539734783.db2.gz QXUWNLAXRKENPP-QGZVFWFLSA-N 1 1 356.422 2.317 50 30 FEEAMO C[NH+]1CCN(/N=C/c2nc(-c3cccc([N+](=O)[O-])c3)n3ccccc23)CC1 ZINC000000956905 219347431 /nfs/dbraw/zinc/34/74/31/219347431.db2.gz FINGJGIIYWMEBV-XSFVSMFZSA-N 1 1 364.409 2.491 50 30 FEEAMO CCC[NH+]1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]C[C@H]2CCCO2)CC1 ZINC000065308264 541233531 /nfs/dbraw/zinc/23/35/31/541233531.db2.gz NMPJTECTNAEYDO-GOSISDBHSA-N 1 1 374.485 2.169 50 30 FEEAMO C[NH+](C)[C@@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000058283406 221112489 /nfs/dbraw/zinc/11/24/89/221112489.db2.gz RTPMDRDFXPWQGY-LJQANCHMSA-N 1 1 363.465 2.295 50 30 FEEAMO COC(C[N@@H+](C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21)OC ZINC000061997703 221138013 /nfs/dbraw/zinc/13/80/13/221138013.db2.gz CBRPEKGZJWTLTP-DIZUZXFTSA-N 1 1 367.486 2.064 50 30 FEEAMO CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)cc3)C2)cn1 ZINC000065267458 221190884 /nfs/dbraw/zinc/19/08/84/221190884.db2.gz PBEGSQCHBYTCJF-GOSISDBHSA-N 1 1 350.422 2.356 50 30 FEEAMO CCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)cc3)C2)cn1 ZINC000065267458 221190886 /nfs/dbraw/zinc/19/08/86/221190886.db2.gz PBEGSQCHBYTCJF-GOSISDBHSA-N 1 1 350.422 2.356 50 30 FEEAMO C=C(C)COc1ccccc1C(=O)N1CCC2(CC1)C[N@H+](C)CCN2C ZINC000067675865 221269201 /nfs/dbraw/zinc/26/92/01/221269201.db2.gz WEIBUIDKKJDRPU-UHFFFAOYSA-N 1 1 357.498 2.494 50 30 FEEAMO C=C(C)COc1ccccc1C(=O)N1CCC2(CC1)CN(C)CC[N@@H+]2C ZINC000067675865 221269203 /nfs/dbraw/zinc/26/92/03/221269203.db2.gz WEIBUIDKKJDRPU-UHFFFAOYSA-N 1 1 357.498 2.494 50 30 FEEAMO C=C(C)COc1ccccc1C(=O)N1CCC2(CC1)CN(C)CC[N@H+]2C ZINC000067675865 221269206 /nfs/dbraw/zinc/26/92/06/221269206.db2.gz WEIBUIDKKJDRPU-UHFFFAOYSA-N 1 1 357.498 2.494 50 30 FEEAMO C[C@@H]1C[N@H+]2C[C@H]3CCC(=O)C4=C5C(=C(N)[C@@H]1C[C@@H]2[C@]53C)C1=C4CCOC1=O ZINC000238758954 525089933 /nfs/dbraw/zinc/08/99/33/525089933.db2.gz CSQMGFDYNRLDNO-BIXGUHKGSA-N 1 1 366.461 2.092 50 30 FEEAMO N#CCC[C@@H](C#N)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000058179241 526463079 /nfs/dbraw/zinc/46/30/79/526463079.db2.gz JBYZOCSPCCQTNG-FXAWDEMLSA-N 1 1 365.437 2.017 50 30 FEEAMO N#Cc1ccc(-c2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)cn1 ZINC000426503320 559736135 /nfs/dbraw/zinc/73/61/35/559736135.db2.gz ONONLPLUDNKURI-UHFFFAOYSA-N 1 1 350.422 2.072 50 30 FEEAMO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801251 221040292 /nfs/dbraw/zinc/04/02/92/221040292.db2.gz QEHMOCVNLNXUJO-OAHLLOKOSA-N 1 1 371.485 2.083 50 30 FEEAMO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801251 221040294 /nfs/dbraw/zinc/04/02/94/221040294.db2.gz QEHMOCVNLNXUJO-OAHLLOKOSA-N 1 1 371.485 2.083 50 30 FEEAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000058209354 221107499 /nfs/dbraw/zinc/10/74/99/221107499.db2.gz GEBAHYTVBFVZJW-JZXOWHBKSA-N 1 1 357.454 2.037 50 30 FEEAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000058209354 221107501 /nfs/dbraw/zinc/10/75/01/221107501.db2.gz GEBAHYTVBFVZJW-JZXOWHBKSA-N 1 1 357.454 2.037 50 30 FEEAMO C#CCC[NH+]1CCN(C(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000058268465 221112503 /nfs/dbraw/zinc/11/25/03/221112503.db2.gz DKSLYVGYEVTVBM-UHFFFAOYSA-N 1 1 351.244 2.239 50 30 FEEAMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000133283894 544263163 /nfs/dbraw/zinc/26/31/63/544263163.db2.gz UZEUXEIGIKNGFI-CVEARBPZSA-N 1 1 360.845 2.283 50 30 FEEAMO N#Cc1ccc(NC(=O)CC[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000133283894 544263164 /nfs/dbraw/zinc/26/31/64/544263164.db2.gz UZEUXEIGIKNGFI-CVEARBPZSA-N 1 1 360.845 2.283 50 30 FEEAMO COc1ccc(O[C@@H](C)C(=O)ONC(=[NH2+])c2ccc(OC)c(OC)c2)cc1 ZINC000005059456 263338790 /nfs/dbraw/zinc/33/87/90/263338790.db2.gz OJSUXBXTZOUEKC-LBPRGKRZSA-N 1 1 374.393 2.343 50 30 FEEAMO N#Cc1ccc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1 ZINC000012507320 263370507 /nfs/dbraw/zinc/37/05/07/263370507.db2.gz GVVWJKCIZJHKLY-QGZVFWFLSA-N 1 1 360.377 2.166 50 30 FEEAMO Cc1nnc(CCC[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 ZINC000089736319 526327351 /nfs/dbraw/zinc/32/73/51/526327351.db2.gz MRLDYZTWLZZOMU-UHFFFAOYSA-N 1 1 368.397 2.253 50 30 FEEAMO Cc1nn(C)c(C(=O)ONC(=[NH2+])c2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-] ZINC000015924128 527600694 /nfs/dbraw/zinc/60/06/94/527600694.db2.gz RVHMCOFYKSIFJV-UHFFFAOYSA-N 1 1 359.386 2.412 50 30 FEEAMO Cc1nn(C)c(C(=O)ONC(=[NH2+])c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000015924130 527600925 /nfs/dbraw/zinc/60/09/25/527600925.db2.gz MMSHSNAQLCIPRD-UHFFFAOYSA-N 1 1 371.275 2.133 50 30 FEEAMO C=CCN(CC=C)C(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012711966 539571265 /nfs/dbraw/zinc/57/12/65/539571265.db2.gz IFAUPJBNCQBDFX-SFHVURJKSA-N 1 1 359.514 2.300 50 30 FEEAMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)C3CCCCCC3)CC2)o1 ZINC000029711334 539862447 /nfs/dbraw/zinc/86/24/47/539862447.db2.gz YQXPHLUWLYVARN-UHFFFAOYSA-N 1 1 359.474 2.158 50 30 FEEAMO C#CCOC[C@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022805125 220398931 /nfs/dbraw/zinc/39/89/31/220398931.db2.gz BBPRXQMYQJRYDK-JOCHJYFZSA-N 1 1 364.489 2.404 50 30 FEEAMO CCOCCC[NH+]=C(NCCN(CC)CC)NCc1ccc(OC)cc1 ZINC000058307517 221113251 /nfs/dbraw/zinc/11/32/51/221113251.db2.gz SFYIRRKOMCHUNS-UHFFFAOYSA-N 1 1 364.534 2.499 50 30 FEEAMO Cc1c(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)cc(C#N)n1C ZINC000091425786 542807203 /nfs/dbraw/zinc/80/72/03/542807203.db2.gz XDVJOURQMRBZOZ-QFBILLFUSA-N 1 1 363.465 2.223 50 30 FEEAMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)COc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000106152881 222383648 /nfs/dbraw/zinc/38/36/48/222383648.db2.gz GEBAHYTVBFVZJW-JFIYKMOQSA-N 1 1 357.454 2.037 50 30 FEEAMO CC(=O)c1cccc(S(=O)(=O)NCC#CC[N@H+](C)Cc2ccccc2)c1 ZINC000085470674 518460313 /nfs/dbraw/zinc/46/03/13/518460313.db2.gz AOZTYYFIKYQEDI-UHFFFAOYSA-N 1 1 370.474 2.303 50 30 FEEAMO C=CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000024981637 518923632 /nfs/dbraw/zinc/92/36/32/518923632.db2.gz HEBLPXLKTWWNQV-AWEZNQCLSA-N 1 1 358.438 2.043 50 30 FEEAMO C=CCOC[C@@H](O)C[N@H+](CCCOC)Cc1cccc(OC)c1OC ZINC000036097202 518983839 /nfs/dbraw/zinc/98/38/39/518983839.db2.gz QIRIXBURABFWHI-KRWDZBQOSA-N 1 1 353.459 2.106 50 30 FEEAMO C=CCOC[C@H](O)C[N@H+](CCCOC)Cc1ccc(OC)c(OC)c1 ZINC000036095939 518992072 /nfs/dbraw/zinc/99/20/72/518992072.db2.gz GQNLFVUFKLESCV-QGZVFWFLSA-N 1 1 353.459 2.106 50 30 FEEAMO COC(=O)[C@@H](C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000058264347 523505165 /nfs/dbraw/zinc/50/51/65/523505165.db2.gz GSPTWXMEHZSEDY-YWZLYKJASA-N 1 1 357.454 2.106 50 30 FEEAMO COC(=O)[C@@H](C)C[N@@H+](CC(=O)NC1(C#N)CCCC1)Cc1ccccc1 ZINC000058316381 523505213 /nfs/dbraw/zinc/50/52/13/523505213.db2.gz MIEZDVOWAZAKSD-INIZCTEOSA-N 1 1 357.454 2.250 50 30 FEEAMO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000020218630 526675482 /nfs/dbraw/zinc/67/54/82/526675482.db2.gz PXTOUAJBYNFTGD-KRWDZBQOSA-N 1 1 355.413 2.259 50 30 FEEAMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1Cl ZINC000246741511 549201479 /nfs/dbraw/zinc/20/14/79/549201479.db2.gz UZEUXEIGIKNGFI-HZPDHXFCSA-N 1 1 360.845 2.283 50 30 FEEAMO N#Cc1ccc(NC(=O)CC[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1Cl ZINC000246741511 549201480 /nfs/dbraw/zinc/20/14/80/549201480.db2.gz UZEUXEIGIKNGFI-HZPDHXFCSA-N 1 1 360.845 2.283 50 30 FEEAMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000025703093 539766736 /nfs/dbraw/zinc/76/67/36/539766736.db2.gz IPYFGELOQGNVGL-SFHVURJKSA-N 1 1 367.449 2.129 50 30 FEEAMO CCC[N@H+]1CCc2nc(N)c(C#N)c(-c3cc(C#CCO)cs3)c2C1 ZINC000072161782 541792302 /nfs/dbraw/zinc/79/23/02/541792302.db2.gz CFHWNAASDQLYAH-UHFFFAOYSA-N 1 1 352.463 2.376 50 30 FEEAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(c3cccc(C#N)n3)C2)n1C ZINC000095372216 132208936 /nfs/dbraw/zinc/20/89/36/132208936.db2.gz FSYCPPHHWWSYFQ-HNNXBMFYSA-N 1 1 362.441 2.019 50 30 FEEAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(c3ncccc3C#N)C2)n1C ZINC000095384953 132209752 /nfs/dbraw/zinc/20/97/52/132209752.db2.gz DAILLKJKBCKFIF-MRXNPFEDSA-N 1 1 362.441 2.019 50 30 FEEAMO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000020218629 526677904 /nfs/dbraw/zinc/67/79/04/526677904.db2.gz PXTOUAJBYNFTGD-QGZVFWFLSA-N 1 1 355.413 2.259 50 30 FEEAMO N#Cc1cc2n(n1)CCN(C(=O)N[C@@H]1CCC[N@@H+](Cc3cccs3)C1)C2 ZINC000584884329 570713122 /nfs/dbraw/zinc/71/31/22/570713122.db2.gz FEENLUXSHHDBAL-CQSZACIVSA-N 1 1 370.482 2.006 50 30 FEEAMO