smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc(C2CC[NH2+]CC2)nc(-c2ccc(CN3CCSCC3)cc2)[nH]1 ZINC000023581855 539716272 /nfs/dbraw/zinc/71/62/72/539716272.db2.gz AZZQPZVDPUCTCH-UHFFFAOYSA-N 1 3 370.522 2.453 10 0 FEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000190356523 328202438 /nfs/dbraw/zinc/20/24/38/328202438.db2.gz VVGVKCJORJAGJN-QZTJIDSGSA-N 1 3 372.513 2.080 10 0 FEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000190356523 328202439 /nfs/dbraw/zinc/20/24/39/328202439.db2.gz VVGVKCJORJAGJN-QZTJIDSGSA-N 1 3 372.513 2.080 10 0 FEAEHO CC[N@H+](CCNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000190705199 328226077 /nfs/dbraw/zinc/22/60/77/328226077.db2.gz NPZPEGVCNKWMDS-GOSISDBHSA-N 1 3 359.518 2.029 10 0 FEAEHO CC[N@@H+](CCNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000190705199 328226078 /nfs/dbraw/zinc/22/60/78/328226078.db2.gz NPZPEGVCNKWMDS-GOSISDBHSA-N 1 3 359.518 2.029 10 0 FEAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000081292966 325168665 /nfs/dbraw/zinc/16/86/65/325168665.db2.gz MZIVUFCLEHKAAS-IBGZPJMESA-N 1 3 360.546 2.291 10 0 FEAEHO CCC[C@@H](C(=O)NCCCN1CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000161530299 327001863 /nfs/dbraw/zinc/00/18/63/327001863.db2.gz ARFLLSWNBIPLSK-FQEVSTJZSA-N 1 3 360.546 2.041 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000246457547 549138338 /nfs/dbraw/zinc/13/83/38/549138338.db2.gz PPAHLGKPFOITAH-APWZRJJASA-N 1 3 357.502 2.176 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000246457547 549138341 /nfs/dbraw/zinc/13/83/41/549138341.db2.gz PPAHLGKPFOITAH-APWZRJJASA-N 1 3 357.502 2.176 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000247605809 549366147 /nfs/dbraw/zinc/36/61/47/549366147.db2.gz LPUURABJVNXLIM-QZTJIDSGSA-N 1 3 361.530 2.058 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000247800534 549381069 /nfs/dbraw/zinc/38/10/69/549381069.db2.gz UYFVPONQXJKIKF-LAUBAEHRSA-N 1 3 373.541 2.349 10 0 FEAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000247800534 549381072 /nfs/dbraw/zinc/38/10/72/549381072.db2.gz UYFVPONQXJKIKF-LAUBAEHRSA-N 1 3 373.541 2.349 10 0 FEAEHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247807959 549383482 /nfs/dbraw/zinc/38/34/82/549383482.db2.gz TYFBZETYNLMBLR-OKZBNKHCSA-N 1 3 361.530 2.277 10 0 FEAEHO c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000248411166 549431923 /nfs/dbraw/zinc/43/19/23/549431923.db2.gz YYIZJBVCOGJZGD-MUGJNUQGSA-N 1 3 351.498 2.483 10 0 FEAEHO CN1CCNC[C@@H]1c1noc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000263228044 549887240 /nfs/dbraw/zinc/88/72/40/549887240.db2.gz NAOLIWSPUJQPLH-DOTOQJQBSA-N 1 3 359.449 2.164 10 0 FEAEHO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000263228044 549887243 /nfs/dbraw/zinc/88/72/43/549887243.db2.gz NAOLIWSPUJQPLH-DOTOQJQBSA-N 1 3 359.449 2.164 10 0 FEAEHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106126560 543204309 /nfs/dbraw/zinc/20/43/09/543204309.db2.gz GUSGBMIIHABZFG-ZIFCJYIRSA-N 1 3 353.551 2.191 10 0 FEAEHO CN(CC(=O)NCC1CCC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000108867565 543306304 /nfs/dbraw/zinc/30/63/04/543306304.db2.gz RWOCGVJQBRHINB-NRFANRHFSA-N 1 3 373.541 2.280 10 0 FEAEHO CCN(CC)C(=O)[C@H](C)[NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000112550022 543451584 /nfs/dbraw/zinc/45/15/84/543451584.db2.gz AQWHIPFPBQEPQZ-PXNSSMCTSA-N 1 3 361.530 2.279 10 0 FEAEHO CCC[C@@H](C(=O)NCCCN1CCN(c2cccc(C)c2)CC1)[NH+](C)C ZINC000161526927 327002015 /nfs/dbraw/zinc/00/20/15/327002015.db2.gz ODANGQBACWMNDV-FQEVSTJZSA-N 1 3 360.546 2.354 10 0 FEAEHO CCN1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000163511408 327053332 /nfs/dbraw/zinc/05/33/32/327053332.db2.gz HSOMWJDYGJKZDM-HXUWFJFHSA-N 1 3 359.514 2.105 10 0 FEAEHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000262941427 328901912 /nfs/dbraw/zinc/90/19/12/328901912.db2.gz IVWJWPXXROQQSI-VWPQPMDRSA-N 1 3 373.541 2.456 10 0 FEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000177389959 546606665 /nfs/dbraw/zinc/60/66/65/546606665.db2.gz IUBWOXDUEMPHDM-SFHVURJKSA-N 1 3 362.518 2.253 10 0 FEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000177389959 546606669 /nfs/dbraw/zinc/60/66/69/546606669.db2.gz IUBWOXDUEMPHDM-SFHVURJKSA-N 1 3 362.518 2.253 10 0 FEAEHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000180210132 672410881 /nfs/dbraw/zinc/41/08/81/672410881.db2.gz TUYBRYVMGHBKLJ-IXDOHACOSA-N 1 3 355.523 2.068 10 0 FEAEHO COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC000055072139 205206301 /nfs/dbraw/zinc/20/63/01/205206301.db2.gz JRNAQKAUSJYUTL-ZDUSSCGKSA-N 1 3 369.425 2.293 10 0 FEAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000106126700 543204707 /nfs/dbraw/zinc/20/47/07/543204707.db2.gz TYFBZETYNLMBLR-BZSNNMDCSA-N 1 3 361.530 2.277 10 0 FEAEHO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000180620404 327694025 /nfs/dbraw/zinc/69/40/25/327694025.db2.gz YDTLLQXHGOQYDM-WBVHZDCISA-N 1 3 357.502 2.447 10 0 FEAEHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)CC1 ZINC000190591777 328218411 /nfs/dbraw/zinc/21/84/11/328218411.db2.gz JKFKJMZMBGCORG-LJQANCHMSA-N 1 3 358.530 2.482 10 0 FEAEHO CCN(CC)[C@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccsc1 ZINC000117031413 326048131 /nfs/dbraw/zinc/04/81/31/326048131.db2.gz LLEZZVMIWSWRFR-IAGOWNOFSA-N 1 3 368.547 2.103 10 0 FEAEHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCN2CCC[C@H]2C1 ZINC000171904695 327169456 /nfs/dbraw/zinc/16/94/56/327169456.db2.gz YHHVWDOEIMFWAJ-FQEVSTJZSA-N 1 3 356.514 2.388 10 0 FEAEHO CC(C)N1CCC[C@@H]([NH2+]CC2CCN(C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175010422 327367688 /nfs/dbraw/zinc/36/76/88/327367688.db2.gz FLQXQUVGDPKHSH-RTWAWAEBSA-N 1 3 373.541 2.421 10 0 FEAEHO CCN(CC)CC(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177466037 546625459 /nfs/dbraw/zinc/62/54/59/546625459.db2.gz UDTIELUSULTKHN-HXUWFJFHSA-N 1 3 361.530 2.232 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000247245953 549306002 /nfs/dbraw/zinc/30/60/02/549306002.db2.gz NHKUNCHTTIRYHT-AEFFLSMTSA-N 1 3 360.502 2.005 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000247245953 549306005 /nfs/dbraw/zinc/30/60/05/549306005.db2.gz NHKUNCHTTIRYHT-AEFFLSMTSA-N 1 3 360.502 2.005 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@H]3C)cc2)CC1 ZINC000247337087 549321609 /nfs/dbraw/zinc/32/16/09/549321609.db2.gz NGZIYUVXZPIGBF-YLJYHZDGSA-N 1 3 358.530 2.287 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)cc2)CC1 ZINC000247337087 549321612 /nfs/dbraw/zinc/32/16/12/549321612.db2.gz NGZIYUVXZPIGBF-YLJYHZDGSA-N 1 3 358.530 2.287 10 0 FEAEHO Cn1cc([C@H]2[C@H](CNC3CC[NH+](C4CCCCC4)CC3)CC(=O)N2C)cn1 ZINC000328634508 553800023 /nfs/dbraw/zinc/80/00/23/553800023.db2.gz UAQXTHHICUYIBC-HRAATJIYSA-N 1 3 373.545 2.326 10 0 FEAEHO Cn1cc([C@H]2[C@H](C[NH2+]C3CCN(C4CCCCC4)CC3)CC(=O)N2C)cn1 ZINC000328634508 553800024 /nfs/dbraw/zinc/80/00/24/553800024.db2.gz UAQXTHHICUYIBC-HRAATJIYSA-N 1 3 373.545 2.326 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000113589091 543491323 /nfs/dbraw/zinc/49/13/23/543491323.db2.gz NHKUNCHTTIRYHT-FUHWJXTLSA-N 1 3 360.502 2.005 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000113589091 543491326 /nfs/dbraw/zinc/49/13/26/543491326.db2.gz NHKUNCHTTIRYHT-FUHWJXTLSA-N 1 3 360.502 2.005 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000155108086 544990742 /nfs/dbraw/zinc/99/07/42/544990742.db2.gz LDXIUOWRJIYHNX-SJORKVTESA-N 1 3 353.551 2.191 10 0 FEAEHO CCC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1)N(C)C ZINC000190516667 328213216 /nfs/dbraw/zinc/21/32/16/328213216.db2.gz MRPXCHBJBZLJTA-HZPDHXFCSA-N 1 3 352.548 2.462 10 0 FEAEHO CCC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1)N(C)C ZINC000190516667 328213217 /nfs/dbraw/zinc/21/32/17/328213217.db2.gz MRPXCHBJBZLJTA-HZPDHXFCSA-N 1 3 352.548 2.462 10 0 FEAEHO CC[NH+](CC)CCNC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190678897 328224092 /nfs/dbraw/zinc/22/40/92/328224092.db2.gz NGTCOYXRBONDPE-MRXNPFEDSA-N 1 3 367.563 2.257 10 0 FEAEHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000152019523 326697123 /nfs/dbraw/zinc/69/71/23/326697123.db2.gz QLTCIFKSRMTKFT-FXAWDEMLSA-N 1 3 374.529 2.089 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)cc2)CC1 ZINC000173749309 327281081 /nfs/dbraw/zinc/28/10/81/327281081.db2.gz ZTUKICSSBPCZIX-FXAWDEMLSA-N 1 3 356.514 2.137 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)cc2)CC1 ZINC000173749309 327281083 /nfs/dbraw/zinc/28/10/83/327281083.db2.gz ZTUKICSSBPCZIX-FXAWDEMLSA-N 1 3 356.514 2.137 10 0 FEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000173755010 327281526 /nfs/dbraw/zinc/28/15/26/327281526.db2.gz DOHPLVYFJRZRCH-RTBURBONSA-N 1 3 374.529 2.395 10 0 FEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000173755010 327281528 /nfs/dbraw/zinc/28/15/28/327281528.db2.gz DOHPLVYFJRZRCH-RTBURBONSA-N 1 3 374.529 2.395 10 0 FEAEHO CN(C)CC[NH2+]Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 ZINC000020167842 521788695 /nfs/dbraw/zinc/78/86/95/521788695.db2.gz CBMJWMOUGXEZPE-OAQYLSRUSA-N 1 3 371.525 2.210 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000157826390 545789661 /nfs/dbraw/zinc/78/96/61/545789661.db2.gz BFLMGVANRJQHOT-APWZRJJASA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000157826390 545789667 /nfs/dbraw/zinc/78/96/67/545789667.db2.gz BFLMGVANRJQHOT-APWZRJJASA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000158918212 545905367 /nfs/dbraw/zinc/90/53/67/545905367.db2.gz QFDODSOSQMXESP-AEFFLSMTSA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000158918212 545905372 /nfs/dbraw/zinc/90/53/72/545905372.db2.gz QFDODSOSQMXESP-AEFFLSMTSA-N 1 3 362.518 2.155 10 0 FEAEHO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000180621327 547143350 /nfs/dbraw/zinc/14/33/50/547143350.db2.gz IVDZZXAZWNVRHD-NVXWUHKLSA-N 1 3 357.502 2.447 10 0 FEAEHO CCc1nc2n(n1)C[C@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180621327 547143355 /nfs/dbraw/zinc/14/33/55/547143355.db2.gz IVDZZXAZWNVRHD-NVXWUHKLSA-N 1 3 357.502 2.447 10 0 FEAEHO CSC[C@H](O)C[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000249279501 549575680 /nfs/dbraw/zinc/57/56/80/549575680.db2.gz OIXIUUJLDFBNIT-RTBURBONSA-N 1 3 352.544 2.088 10 0 FEAEHO CSC[C@H](O)C[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000249279501 549575686 /nfs/dbraw/zinc/57/56/86/549575686.db2.gz OIXIUUJLDFBNIT-RTBURBONSA-N 1 3 352.544 2.088 10 0 FEAEHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CN1Cc1ccccc1 ZINC000653122373 677516706 /nfs/dbraw/zinc/51/67/06/677516706.db2.gz VDCQNENXEWYNNZ-SLBVQIDZSA-N 1 3 355.404 2.164 10 0 FEAEHO C[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000116791106 543615682 /nfs/dbraw/zinc/61/56/82/543615682.db2.gz LEOWLVRVVWWQPT-RXVVDRJESA-N 1 3 373.541 2.119 10 0 FEAEHO COC(=O)c1ccc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1F ZINC000151063282 544501366 /nfs/dbraw/zinc/50/13/66/544501366.db2.gz VXDCIPKRKHYACY-AWEZNQCLSA-N 1 3 352.450 2.137 10 0 FEAEHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000190686695 328224770 /nfs/dbraw/zinc/22/47/70/328224770.db2.gz AZGIYWIJOSXHIR-HXUWFJFHSA-N 1 3 373.545 2.421 10 0 FEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000121390690 326335073 /nfs/dbraw/zinc/33/50/73/326335073.db2.gz XBRLOWKOCLSTJN-QYZOEREBSA-N 1 3 368.566 2.030 10 0 FEAEHO COCCC[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccccc2)CC1 ZINC000171193081 327123458 /nfs/dbraw/zinc/12/34/58/327123458.db2.gz AWGSYHOXFGZEIC-LJQANCHMSA-N 1 3 362.518 2.089 10 0 FEAEHO CC(C)(CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000171901781 327168524 /nfs/dbraw/zinc/16/85/24/327168524.db2.gz PBYCSCDNSHBXAG-IBGZPJMESA-N 1 3 356.514 2.313 10 0 FEAEHO CC(C)(CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000171901781 327168525 /nfs/dbraw/zinc/16/85/25/327168525.db2.gz PBYCSCDNSHBXAG-IBGZPJMESA-N 1 3 356.514 2.313 10 0 FEAEHO CC(C)N1CCC[C@@H]([NH2+]CC2CCN(C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000175010460 327367752 /nfs/dbraw/zinc/36/77/52/327367752.db2.gz FLQXQUVGDPKHSH-NHCUHLMSSA-N 1 3 373.541 2.421 10 0 FEAEHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247567635 549360093 /nfs/dbraw/zinc/36/00/93/549360093.db2.gz GUSGBMIIHABZFG-YQVWRLOYSA-N 1 3 353.551 2.191 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000247800532 549380931 /nfs/dbraw/zinc/38/09/31/549380931.db2.gz UYFVPONQXJKIKF-DYESRHJHSA-N 1 3 373.541 2.349 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000247800532 549380935 /nfs/dbraw/zinc/38/09/35/549380935.db2.gz UYFVPONQXJKIKF-DYESRHJHSA-N 1 3 373.541 2.349 10 0 FEAEHO COc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)N2CCCC2)cc1 ZINC000252442351 549665635 /nfs/dbraw/zinc/66/56/35/549665635.db2.gz VAPFZODQEBEKDY-ICSRJNTNSA-N 1 3 372.513 2.322 10 0 FEAEHO COc1ccc([C@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)N2CCCC2)cc1 ZINC000252442351 549665638 /nfs/dbraw/zinc/66/56/38/549665638.db2.gz VAPFZODQEBEKDY-ICSRJNTNSA-N 1 3 372.513 2.322 10 0 FEAEHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)C1 ZINC000253203030 549680727 /nfs/dbraw/zinc/68/07/27/549680727.db2.gz FFISEDSZYNWODZ-PMACEKPBSA-N 1 3 373.545 2.277 10 0 FEAEHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)C1 ZINC000253203030 549680729 /nfs/dbraw/zinc/68/07/29/549680729.db2.gz FFISEDSZYNWODZ-PMACEKPBSA-N 1 3 373.545 2.277 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000247475242 549340141 /nfs/dbraw/zinc/34/01/41/549340141.db2.gz SBEIBEUQCOZSOL-SJORKVTESA-N 1 3 366.575 2.226 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000247475242 549340147 /nfs/dbraw/zinc/34/01/47/549340147.db2.gz SBEIBEUQCOZSOL-SJORKVTESA-N 1 3 366.575 2.226 10 0 FEAEHO CCN1CCC[C@@H](NC(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)C1 ZINC000129106095 544090590 /nfs/dbraw/zinc/09/05/90/544090590.db2.gz SKTKUHWQPYMVEA-LJQANCHMSA-N 1 3 368.566 2.251 10 0 FEAEHO CCN1CCC[C@@H](NC(=O)N2CCC(CCC[N@@H+](C)CCOC)CC2)C1 ZINC000129106095 544090592 /nfs/dbraw/zinc/09/05/92/544090592.db2.gz SKTKUHWQPYMVEA-LJQANCHMSA-N 1 3 368.566 2.251 10 0 FEAEHO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000190516399 328213161 /nfs/dbraw/zinc/21/31/61/328213161.db2.gz XTRKUIQRXHMGDU-KRWDZBQOSA-N 1 3 364.559 2.464 10 0 FEAEHO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000190516399 328213163 /nfs/dbraw/zinc/21/31/63/328213163.db2.gz XTRKUIQRXHMGDU-KRWDZBQOSA-N 1 3 364.559 2.464 10 0 FEAEHO COCOc1ccc(OC)cc1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121139306 326316311 /nfs/dbraw/zinc/31/63/11/326316311.db2.gz WYRLTIRBLXCVKN-INIZCTEOSA-N 1 3 366.502 2.203 10 0 FEAEHO C[NH+](C)[C@H]1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000170835411 327101355 /nfs/dbraw/zinc/10/13/55/327101355.db2.gz OWOSGAXVAYREPR-INIZCTEOSA-N 1 3 350.532 2.306 10 0 FEAEHO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)cc2)CC1 ZINC000170844387 327102284 /nfs/dbraw/zinc/10/22/84/327102284.db2.gz RZBSLNQVIQWVJV-LJQANCHMSA-N 1 3 372.513 2.020 10 0 FEAEHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171900713 327168512 /nfs/dbraw/zinc/16/85/12/327168512.db2.gz KTYJRWAIBAOKAJ-LJQANCHMSA-N 1 3 374.529 2.397 10 0 FEAEHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCN2CCC[C@@H]2C1 ZINC000171907203 327169615 /nfs/dbraw/zinc/16/96/15/327169615.db2.gz AROAXUWFEJQGOE-WOJBJXKFSA-N 1 3 356.514 2.041 10 0 FEAEHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCN2CCC[C@@H]2C1 ZINC000171907203 327169617 /nfs/dbraw/zinc/16/96/17/327169617.db2.gz AROAXUWFEJQGOE-WOJBJXKFSA-N 1 3 356.514 2.041 10 0 FEAEHO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccccc2OCCN(C)C)[C@@H](C)C1 ZINC000158918355 545904863 /nfs/dbraw/zinc/90/48/63/545904863.db2.gz QFDODSOSQMXESP-WMZOPIPTSA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](NC(=O)NCc2ccccc2OCCN(C)C)[C@@H](C)C1 ZINC000158918355 545904865 /nfs/dbraw/zinc/90/48/65/545904865.db2.gz QFDODSOSQMXESP-WMZOPIPTSA-N 1 3 362.518 2.155 10 0 FEAEHO COc1cccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)N2CCCC2)c1 ZINC000195122578 548581213 /nfs/dbraw/zinc/58/12/13/548581213.db2.gz DHEYMEQWKYMDTJ-MJGOQNOKSA-N 1 3 360.502 2.226 10 0 FEAEHO COc1cccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)N2CCCC2)c1 ZINC000195122578 548581217 /nfs/dbraw/zinc/58/12/17/548581217.db2.gz DHEYMEQWKYMDTJ-MJGOQNOKSA-N 1 3 360.502 2.226 10 0 FEAEHO C[C@H](C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246721954 549196810 /nfs/dbraw/zinc/19/68/10/549196810.db2.gz NGUJFTSNDNYERR-FGTMMUONSA-N 1 3 373.545 2.053 10 0 FEAEHO C[C@H](C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246721954 549196812 /nfs/dbraw/zinc/19/68/12/549196812.db2.gz NGUJFTSNDNYERR-FGTMMUONSA-N 1 3 373.545 2.053 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000247497140 549345486 /nfs/dbraw/zinc/34/54/86/549345486.db2.gz USKDJCYMVAWSFZ-WMZOPIPTSA-N 1 3 360.502 2.005 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000247497140 549345488 /nfs/dbraw/zinc/34/54/88/549345488.db2.gz USKDJCYMVAWSFZ-WMZOPIPTSA-N 1 3 360.502 2.005 10 0 FEAEHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C12CCOCC2 ZINC000186437388 327961876 /nfs/dbraw/zinc/96/18/76/327961876.db2.gz UJOJURBWQOQWBS-QZTJIDSGSA-N 1 3 363.502 2.086 10 0 FEAEHO CN(C)C[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000163730424 327057525 /nfs/dbraw/zinc/05/75/25/327057525.db2.gz FCFDFMNBXUZNRC-IBGZPJMESA-N 1 3 359.514 2.078 10 0 FEAEHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(OC)c1 ZINC000170827391 327100943 /nfs/dbraw/zinc/10/09/43/327100943.db2.gz KYVWIGOAJNBCOD-PKOBYXMFSA-N 1 3 362.518 2.424 10 0 FEAEHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)cc2)C1 ZINC000170844821 327102102 /nfs/dbraw/zinc/10/21/02/327102102.db2.gz WJJHPJHLMUAXSN-LPHOPBHVSA-N 1 3 372.513 2.020 10 0 FEAEHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)cc2)C1 ZINC000170844821 327102103 /nfs/dbraw/zinc/10/21/03/327102103.db2.gz WJJHPJHLMUAXSN-LPHOPBHVSA-N 1 3 372.513 2.020 10 0 FEAEHO CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)c2C1 ZINC000170843338 327102188 /nfs/dbraw/zinc/10/21/88/327102188.db2.gz OJUQGTNCFWYAIE-WBVHZDCISA-N 1 3 372.513 2.148 10 0 FEAEHO COc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000170862286 327103313 /nfs/dbraw/zinc/10/33/13/327103313.db2.gz MAVINDGWSHYQFR-IEBWSBKVSA-N 1 3 360.502 2.178 10 0 FEAEHO CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000171351244 327134242 /nfs/dbraw/zinc/13/42/42/327134242.db2.gz PMBAWMYZCWNIPP-VQTJNVASSA-N 1 3 358.530 2.335 10 0 FEAEHO CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000171351244 327134244 /nfs/dbraw/zinc/13/42/44/327134244.db2.gz PMBAWMYZCWNIPP-VQTJNVASSA-N 1 3 358.530 2.335 10 0 FEAEHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000171900716 327168669 /nfs/dbraw/zinc/16/86/69/327168669.db2.gz MMUHAIVPIVZTPK-IBGZPJMESA-N 1 3 374.529 2.397 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3CC)cc2)CC1 ZINC000177014939 546524315 /nfs/dbraw/zinc/52/43/15/546524315.db2.gz XZWGSUXJDZMTLD-FQEVSTJZSA-N 1 3 358.530 2.385 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@H+]3CC)cc2)CC1 ZINC000177014939 546524317 /nfs/dbraw/zinc/52/43/17/546524317.db2.gz XZWGSUXJDZMTLD-FQEVSTJZSA-N 1 3 358.530 2.385 10 0 FEAEHO CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)c2C1 ZINC000246020131 549037413 /nfs/dbraw/zinc/03/74/13/549037413.db2.gz OJUQGTNCFWYAIE-NVXWUHKLSA-N 1 3 372.513 2.148 10 0 FEAEHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246395513 549124219 /nfs/dbraw/zinc/12/42/19/549124219.db2.gz KZRVHIUUIMCLNZ-VQIMIIECSA-N 1 3 374.529 2.312 10 0 FEAEHO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](CN(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000246517432 549151156 /nfs/dbraw/zinc/15/11/56/549151156.db2.gz OFKYVPOCTDVADY-RLLQIKCJSA-N 1 3 374.529 2.012 10 0 FEAEHO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](CN(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000246517432 549151159 /nfs/dbraw/zinc/15/11/59/549151159.db2.gz OFKYVPOCTDVADY-RLLQIKCJSA-N 1 3 374.529 2.012 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000247023505 549266432 /nfs/dbraw/zinc/26/64/32/549266432.db2.gz HNCDPSJEBJRHGR-VQIMIIECSA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000247023505 549266436 /nfs/dbraw/zinc/26/64/36/549266436.db2.gz HNCDPSJEBJRHGR-VQIMIIECSA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000247490723 549342472 /nfs/dbraw/zinc/34/24/72/549342472.db2.gz WVSKYKLZAFHYED-IAGOWNOFSA-N 1 3 368.591 2.376 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000247490723 549342474 /nfs/dbraw/zinc/34/24/74/549342474.db2.gz WVSKYKLZAFHYED-IAGOWNOFSA-N 1 3 368.591 2.376 10 0 FEAEHO COC(=O)c1ccc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1F ZINC000151063333 544501304 /nfs/dbraw/zinc/50/13/04/544501304.db2.gz VXDCIPKRKHYACY-CQSZACIVSA-N 1 3 352.450 2.137 10 0 FEAEHO CN(C)C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000152019470 544606801 /nfs/dbraw/zinc/60/68/01/544606801.db2.gz QLTCIFKSRMTKFT-PXNSSMCTSA-N 1 3 374.529 2.089 10 0 FEAEHO C[C@H](CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)[N@H+](C)C1CC1 ZINC000190707553 328226396 /nfs/dbraw/zinc/22/63/96/328226396.db2.gz TVBXXXGBVWGPJX-AEFFLSMTSA-N 1 3 359.518 2.028 10 0 FEAEHO C[C@H](CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000190707553 328226398 /nfs/dbraw/zinc/22/63/98/328226398.db2.gz TVBXXXGBVWGPJX-AEFFLSMTSA-N 1 3 359.518 2.028 10 0 FEAEHO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000190915530 328239990 /nfs/dbraw/zinc/23/99/90/328239990.db2.gz OGEPESRBBLFLFG-PGYGNJIDSA-N 1 3 352.519 2.279 10 0 FEAEHO CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000190915530 328239992 /nfs/dbraw/zinc/23/99/92/328239992.db2.gz OGEPESRBBLFLFG-PGYGNJIDSA-N 1 3 352.519 2.279 10 0 FEAEHO CCOC(=O)C1CCC(O)(CN2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000190915530 328239993 /nfs/dbraw/zinc/23/99/93/328239993.db2.gz OGEPESRBBLFLFG-PGYGNJIDSA-N 1 3 352.519 2.279 10 0 FEAEHO CC(C)N1CC[C@@H]([NH2+]CC2CCN(C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000175191180 327378811 /nfs/dbraw/zinc/37/88/11/327378811.db2.gz LACLQPUMZCSRHC-WOJBJXKFSA-N 1 3 359.514 2.031 10 0 FEAEHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2(N)CCOCC2)C1 ZINC000261872970 328826157 /nfs/dbraw/zinc/82/61/57/328826157.db2.gz OHRAOAXSAAHWRM-IRXDYDNUSA-N 1 3 359.514 2.289 10 0 FEAEHO Cc1nccn1C[C@@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000158817559 545897762 /nfs/dbraw/zinc/89/77/62/545897762.db2.gz MOAMDYOCQVFJBR-PMACEKPBSA-N 1 3 369.513 2.075 10 0 FEAEHO Cc1nccn1C[C@@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000158817559 545897767 /nfs/dbraw/zinc/89/77/67/545897767.db2.gz MOAMDYOCQVFJBR-PMACEKPBSA-N 1 3 369.513 2.075 10 0 FEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000246582915 549167216 /nfs/dbraw/zinc/16/72/16/549167216.db2.gz ZUYSQSGPCIYIAN-MOPGFXCFSA-N 1 3 374.529 2.395 10 0 FEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000246582915 549167219 /nfs/dbraw/zinc/16/72/19/549167219.db2.gz ZUYSQSGPCIYIAN-MOPGFXCFSA-N 1 3 374.529 2.395 10 0 FEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000247333615 549320396 /nfs/dbraw/zinc/32/03/96/549320396.db2.gz XBRLOWKOCLSTJN-CEXWTWQISA-N 1 3 368.566 2.030 10 0 FEAEHO CC(C)c1nc(CN(C)C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)cs1 ZINC000072410012 670495791 /nfs/dbraw/zinc/49/57/91/670495791.db2.gz AJDZZVDYEHBJLF-HNNXBMFYSA-N 1 3 350.532 2.299 10 0 FEAEHO C[C@@H]([NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)NC(C)(C)C ZINC000112549951 543451174 /nfs/dbraw/zinc/45/11/74/543451174.db2.gz RTYVTSRNPUQRNU-APWZRJJASA-N 1 3 361.530 2.325 10 0 FEAEHO CCN(C)C(=O)CC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000130351822 544148118 /nfs/dbraw/zinc/14/81/18/544148118.db2.gz BRUHSVJNESVLOA-FQEVSTJZSA-N 1 3 361.530 2.232 10 0 FEAEHO CCN(C)C(=O)CC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000130351822 544148119 /nfs/dbraw/zinc/14/81/19/544148119.db2.gz BRUHSVJNESVLOA-FQEVSTJZSA-N 1 3 361.530 2.232 10 0 FEAEHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247513722 549349255 /nfs/dbraw/zinc/34/92/55/549349255.db2.gz QGSMYJPEVDVVRH-IRXDYDNUSA-N 1 3 362.543 2.450 10 0 FEAEHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247513722 549349259 /nfs/dbraw/zinc/34/92/59/549349259.db2.gz QGSMYJPEVDVVRH-IRXDYDNUSA-N 1 3 362.543 2.450 10 0 FEAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000155107972 544990502 /nfs/dbraw/zinc/99/05/02/544990502.db2.gz LDXIUOWRJIYHNX-IRXDYDNUSA-N 1 3 353.551 2.191 10 0 FEAEHO CSC[C@@H](O)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000187879766 328052170 /nfs/dbraw/zinc/05/21/70/328052170.db2.gz OIXIUUJLDFBNIT-OALUTQOASA-N 1 3 352.544 2.088 10 0 FEAEHO CSC[C@@H](O)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000187879766 328052171 /nfs/dbraw/zinc/05/21/71/328052171.db2.gz OIXIUUJLDFBNIT-OALUTQOASA-N 1 3 352.544 2.088 10 0 FEAEHO C[C@H](CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)[N@H+](C)C1CC1 ZINC000190707517 328226285 /nfs/dbraw/zinc/22/62/85/328226285.db2.gz TVBXXXGBVWGPJX-SJLPKXTDSA-N 1 3 359.518 2.028 10 0 FEAEHO C[C@H](CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000190707517 328226286 /nfs/dbraw/zinc/22/62/86/328226286.db2.gz TVBXXXGBVWGPJX-SJLPKXTDSA-N 1 3 359.518 2.028 10 0 FEAEHO C[C@@H](NC1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCOCC1)c1ccccc1 ZINC000261695564 328812565 /nfs/dbraw/zinc/81/25/65/328812565.db2.gz IATATQOKTFCMFY-BHIYHBOVSA-N 1 3 359.514 2.378 10 0 FEAEHO Cc1nccn1C[C@H]1CCCN1CC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178748713 546843701 /nfs/dbraw/zinc/84/37/01/546843701.db2.gz VPXSMZCPZKNGEW-WOJBJXKFSA-N 1 3 356.518 2.325 10 0 FEAEHO Cc1nccn1C[C@H]1CCCN1CC[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178748713 546843707 /nfs/dbraw/zinc/84/37/07/546843707.db2.gz VPXSMZCPZKNGEW-WOJBJXKFSA-N 1 3 356.518 2.325 10 0 FEAEHO CN(C)[C@@H]1CCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000179805743 547015165 /nfs/dbraw/zinc/01/51/65/547015165.db2.gz KLBXMTXXXCLCDX-LJQANCHMSA-N 1 3 374.529 2.049 10 0 FEAEHO CCN1CCN(c2cccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2)CC1 ZINC000184900120 547895839 /nfs/dbraw/zinc/89/58/39/547895839.db2.gz WGGJMMJKKWUQKU-IBGZPJMESA-N 1 3 357.502 2.140 10 0 FEAEHO CCN1CCN(c2cccc(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)c2)CC1 ZINC000184900120 547895843 /nfs/dbraw/zinc/89/58/43/547895843.db2.gz WGGJMMJKKWUQKU-IBGZPJMESA-N 1 3 357.502 2.140 10 0 FEAEHO CN1CCC[C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[C@H]1c1cccs1 ZINC000246797841 549215875 /nfs/dbraw/zinc/21/58/75/549215875.db2.gz AWAVEDPJYUPQLL-UXLLHSPISA-N 1 3 350.532 2.477 10 0 FEAEHO NC1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCOCC1 ZINC000261845709 549761749 /nfs/dbraw/zinc/76/17/49/549761749.db2.gz LXJVNIAMMPMDMT-FQEVSTJZSA-N 1 3 357.498 2.009 10 0 FEAEHO NC1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCOCC1 ZINC000261845709 549761752 /nfs/dbraw/zinc/76/17/52/549761752.db2.gz LXJVNIAMMPMDMT-FQEVSTJZSA-N 1 3 357.498 2.009 10 0 FEAEHO CN1CCNC[C@@H]1c1noc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000263228045 549887120 /nfs/dbraw/zinc/88/71/20/549887120.db2.gz NAOLIWSPUJQPLH-NVXWUHKLSA-N 1 3 359.449 2.164 10 0 FEAEHO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000263228045 549887123 /nfs/dbraw/zinc/88/71/23/549887123.db2.gz NAOLIWSPUJQPLH-NVXWUHKLSA-N 1 3 359.449 2.164 10 0 FEAEHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653111063 677516353 /nfs/dbraw/zinc/51/63/53/677516353.db2.gz CHLVJYOGGBAAFI-BZUAXINKSA-N 1 3 355.404 2.165 10 0 FEAEHO CCCNC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127861 543204836 /nfs/dbraw/zinc/20/48/36/543204836.db2.gz KYMJPRJSFHINQG-XLIONFOSSA-N 1 3 361.530 2.279 10 0 FEAEHO CC[NH+](CC)[C@@H](C)CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000109947636 543344281 /nfs/dbraw/zinc/34/42/81/543344281.db2.gz SFSZVFVLVTYYBA-IBGZPJMESA-N 1 3 360.546 2.435 10 0 FEAEHO CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)c1ccccc1 ZINC000117025989 543622058 /nfs/dbraw/zinc/62/20/58/543622058.db2.gz ORJPXLQDLYWGES-MOPGFXCFSA-N 1 3 362.518 2.042 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000247501532 549345992 /nfs/dbraw/zinc/34/59/92/549345992.db2.gz XPUFVUPZWNASEJ-UYAOXDASSA-N 1 3 358.530 2.044 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000247501532 549345995 /nfs/dbraw/zinc/34/59/95/549345995.db2.gz XPUFVUPZWNASEJ-UYAOXDASSA-N 1 3 358.530 2.044 10 0 FEAEHO CC1CC[NH+](C2CCC(NC(=O)N3CCO[C@H](CN(C)C)C3)CC2)CC1 ZINC000152743244 544690771 /nfs/dbraw/zinc/69/07/71/544690771.db2.gz IWJBPRCGPDZFIX-CTWPCTMYSA-N 1 3 366.550 2.002 10 0 FEAEHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000192835023 328342820 /nfs/dbraw/zinc/34/28/20/328342820.db2.gz PSWROTMJJQPSGI-OALUTQOASA-N 1 3 351.560 2.172 10 0 FEAEHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000192835023 328342822 /nfs/dbraw/zinc/34/28/22/328342822.db2.gz PSWROTMJJQPSGI-OALUTQOASA-N 1 3 351.560 2.172 10 0 FEAEHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170829341 327100919 /nfs/dbraw/zinc/10/09/19/327100919.db2.gz DIXXTTOCTZJHBG-SFHVURJKSA-N 1 3 362.518 2.253 10 0 FEAEHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905501 327169381 /nfs/dbraw/zinc/16/93/81/327169381.db2.gz QGSMYJPEVDVVRH-IAGOWNOFSA-N 1 3 362.543 2.450 10 0 FEAEHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171905501 327169383 /nfs/dbraw/zinc/16/93/83/327169383.db2.gz QGSMYJPEVDVVRH-IAGOWNOFSA-N 1 3 362.543 2.450 10 0 FEAEHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@@H]3c3cn[nH]c3)CC2)CC1 ZINC000182537890 547510126 /nfs/dbraw/zinc/51/01/26/547510126.db2.gz SYMYGHGOZIVVLL-LJQANCHMSA-N 1 3 374.533 2.205 10 0 FEAEHO CN(c1ccccc1CN1CC[C@@H](N2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000245539910 548941553 /nfs/dbraw/zinc/94/15/53/548941553.db2.gz LVLHOVYIBUWMQY-OAQYLSRUSA-N 1 3 372.557 2.124 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@H]3C)cc2)CC1 ZINC000247337070 549321804 /nfs/dbraw/zinc/32/18/04/549321804.db2.gz NGZIYUVXZPIGBF-XLIONFOSSA-N 1 3 358.530 2.287 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@H]3C)cc2)CC1 ZINC000247337070 549321807 /nfs/dbraw/zinc/32/18/07/549321807.db2.gz NGZIYUVXZPIGBF-XLIONFOSSA-N 1 3 358.530 2.287 10 0 FEAEHO O=C(C[C@H]1CSCCN1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328625109 553797815 /nfs/dbraw/zinc/79/78/15/553797815.db2.gz CSZOERSHWLLDGQ-HOTGVXAUSA-N 1 3 365.568 2.314 10 0 FEAEHO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000190516423 328213097 /nfs/dbraw/zinc/21/30/97/328213097.db2.gz XTRKUIQRXHMGDU-QGZVFWFLSA-N 1 3 364.559 2.464 10 0 FEAEHO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000190516423 328213098 /nfs/dbraw/zinc/21/30/98/328213098.db2.gz XTRKUIQRXHMGDU-QGZVFWFLSA-N 1 3 364.559 2.464 10 0 FEAEHO CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190692073 328224912 /nfs/dbraw/zinc/22/49/12/328224912.db2.gz KDYMPJOJMWAWOY-HKUYNNGSSA-N 1 3 361.534 2.275 10 0 FEAEHO CCC[C@@H](C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)N(C)C ZINC000130956382 326566411 /nfs/dbraw/zinc/56/64/11/326566411.db2.gz GWAWUYCLDBCESA-VQTJNVASSA-N 1 3 361.530 2.279 10 0 FEAEHO CCN1CCC[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000171351186 327134148 /nfs/dbraw/zinc/13/41/48/327134148.db2.gz ICRDFNAHWVMXGT-GOSISDBHSA-N 1 3 362.518 2.301 10 0 FEAEHO CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)c2C1 ZINC000246020125 549038104 /nfs/dbraw/zinc/03/81/04/549038104.db2.gz OJUQGTNCFWYAIE-DOTOQJQBSA-N 1 3 372.513 2.148 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000246332161 549107809 /nfs/dbraw/zinc/10/78/09/549107809.db2.gz LDXIUOWRJIYHNX-IAGOWNOFSA-N 1 3 353.551 2.191 10 0 FEAEHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000246628770 549177711 /nfs/dbraw/zinc/17/77/11/549177711.db2.gz NXESBYXTYDLUAO-QZTJIDSGSA-N 1 3 368.566 2.033 10 0 FEAEHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000246628770 549177715 /nfs/dbraw/zinc/17/77/15/549177715.db2.gz NXESBYXTYDLUAO-QZTJIDSGSA-N 1 3 368.566 2.033 10 0 FEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000248783774 549501299 /nfs/dbraw/zinc/50/12/99/549501299.db2.gz IDKYZTZSRQAXAP-BWPNAZKDSA-N 1 3 356.514 2.385 10 0 FEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000248783774 549501302 /nfs/dbraw/zinc/50/13/02/549501302.db2.gz IDKYZTZSRQAXAP-BWPNAZKDSA-N 1 3 356.514 2.385 10 0 FEAEHO COc1ccccc1C[N@@H+]1C[C@@H](C(=O)NC2CC2)C2(C1)CCN(C)CC2 ZINC000257174906 549711550 /nfs/dbraw/zinc/71/15/50/549711550.db2.gz LVEBGJXZEREBPQ-SFHVURJKSA-N 1 3 357.498 2.118 10 0 FEAEHO COc1ccccc1C[N@H+]1C[C@@H](C(=O)NC2CC2)C2(C1)CCN(C)CC2 ZINC000257174906 549711551 /nfs/dbraw/zinc/71/15/51/549711551.db2.gz LVEBGJXZEREBPQ-SFHVURJKSA-N 1 3 357.498 2.118 10 0 FEAEHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261672391 549741713 /nfs/dbraw/zinc/74/17/13/549741713.db2.gz KMZLHCJWHBYNQL-QUCCMNQESA-N 1 3 373.522 2.111 10 0 FEAEHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3(N)CCOCC3)cc2)C1 ZINC000261777753 549754182 /nfs/dbraw/zinc/75/41/82/549754182.db2.gz HEHRDQOOIIYFAT-IRXDYDNUSA-N 1 3 359.514 2.289 10 0 FEAEHO NC1(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCOCC1 ZINC000261845711 549761395 /nfs/dbraw/zinc/76/13/95/549761395.db2.gz LXJVNIAMMPMDMT-HXUWFJFHSA-N 1 3 357.498 2.009 10 0 FEAEHO NC1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCOCC1 ZINC000261845711 549761398 /nfs/dbraw/zinc/76/13/98/549761398.db2.gz LXJVNIAMMPMDMT-HXUWFJFHSA-N 1 3 357.498 2.009 10 0 FEAEHO COCC[NH+]1CCC(CN(Cc2ccc(CO)o2)C[C@@H]2CCCO2)CC1 ZINC000012385172 207368898 /nfs/dbraw/zinc/36/88/98/207368898.db2.gz SVIZARXCZVKTBI-SFHVURJKSA-N 1 3 366.502 2.111 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000132252181 544224291 /nfs/dbraw/zinc/22/42/91/544224291.db2.gz WVSKYKLZAFHYED-SJORKVTESA-N 1 3 368.591 2.376 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000132252181 544224292 /nfs/dbraw/zinc/22/42/92/544224292.db2.gz WVSKYKLZAFHYED-SJORKVTESA-N 1 3 368.591 2.376 10 0 FEAEHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000150778475 544469608 /nfs/dbraw/zinc/46/96/08/544469608.db2.gz KZRVHIUUIMCLNZ-LPHOPBHVSA-N 1 3 374.529 2.312 10 0 FEAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000171843596 327165001 /nfs/dbraw/zinc/16/50/01/327165001.db2.gz GJVYMJRVRXFDKF-INIZCTEOSA-N 1 3 362.518 2.305 10 0 FEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COc2ccccc21 ZINC000174440252 327327111 /nfs/dbraw/zinc/32/71/11/327327111.db2.gz PTYNIXXLSAVLDY-FUHWJXTLSA-N 1 3 360.502 2.178 10 0 FEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COc2ccccc21 ZINC000174440252 327327113 /nfs/dbraw/zinc/32/71/13/327327113.db2.gz PTYNIXXLSAVLDY-FUHWJXTLSA-N 1 3 360.502 2.178 10 0 FEAEHO Cc1csc(N2CCC(NC[C@@H](O)C[NH+]3CCC(C)CC3)CC2)n1 ZINC000158886384 545902694 /nfs/dbraw/zinc/90/26/94/545902694.db2.gz DDJDQIDVFXNETM-QGZVFWFLSA-N 1 3 352.548 2.103 10 0 FEAEHO Cc1csc(N2CCC(NC[C@H](O)C[NH+]3CCC(C)CC3)CC2)n1 ZINC000158886225 545902895 /nfs/dbraw/zinc/90/28/95/545902895.db2.gz DDJDQIDVFXNETM-KRWDZBQOSA-N 1 3 352.548 2.103 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000245540884 548942397 /nfs/dbraw/zinc/94/23/97/548942397.db2.gz PSJVUGFAZXPKGO-QFBILLFUSA-N 1 3 359.518 2.326 10 0 FEAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000245540884 548942402 /nfs/dbraw/zinc/94/24/02/548942402.db2.gz PSJVUGFAZXPKGO-QFBILLFUSA-N 1 3 359.518 2.326 10 0 FEAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000245664317 548968979 /nfs/dbraw/zinc/96/89/79/548968979.db2.gz DOHPLVYFJRZRCH-OALUTQOASA-N 1 3 374.529 2.395 10 0 FEAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000245664317 548968983 /nfs/dbraw/zinc/96/89/83/548968983.db2.gz DOHPLVYFJRZRCH-OALUTQOASA-N 1 3 374.529 2.395 10 0 FEAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000246582920 549167705 /nfs/dbraw/zinc/16/77/05/549167705.db2.gz ZUYSQSGPCIYIAN-OALUTQOASA-N 1 3 374.529 2.395 10 0 FEAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000246582920 549167707 /nfs/dbraw/zinc/16/77/07/549167707.db2.gz ZUYSQSGPCIYIAN-OALUTQOASA-N 1 3 374.529 2.395 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000246747752 549203346 /nfs/dbraw/zinc/20/33/46/549203346.db2.gz BFOVYWITFCFSCN-TZIWHRDSSA-N 1 3 372.557 2.434 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000246747752 549203349 /nfs/dbraw/zinc/20/33/49/549203349.db2.gz BFOVYWITFCFSCN-TZIWHRDSSA-N 1 3 372.557 2.434 10 0 FEAEHO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249093079 549549022 /nfs/dbraw/zinc/54/90/22/549549022.db2.gz DXOIAWGJRQKARN-JKSUJKDBSA-N 1 3 368.543 2.176 10 0 FEAEHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2CCC[C@H]2C1)C1CC1 ZINC000251667616 549651289 /nfs/dbraw/zinc/65/12/89/549651289.db2.gz LNZOMRULBHLBTA-VQTJNVASSA-N 1 3 356.514 2.387 10 0 FEAEHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2CCC[C@H]2C1)C1CC1 ZINC000251667616 549651291 /nfs/dbraw/zinc/65/12/91/549651291.db2.gz LNZOMRULBHLBTA-VQTJNVASSA-N 1 3 356.514 2.387 10 0 FEAEHO C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@H]3[C@@H]3COCCN3)nc2)CC1 ZINC000262036066 549782003 /nfs/dbraw/zinc/78/20/03/549782003.db2.gz XYGYJKCPXOZPIO-AQNXPRMDSA-N 1 3 373.545 2.181 10 0 FEAEHO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000385663299 558606496 /nfs/dbraw/zinc/60/64/96/558606496.db2.gz LBVISKMCDNULIU-VNTMZGSJSA-N 1 3 360.498 2.191 10 0 FEAEHO CCN1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000194169992 672750431 /nfs/dbraw/zinc/75/04/31/672750431.db2.gz KOLONAQNJFCTJG-QGZVFWFLSA-N 1 3 350.482 2.383 10 0 FEAEHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000247530683 672851524 /nfs/dbraw/zinc/85/15/24/672851524.db2.gz OZGVRMHRYVPROW-BBWFWOEESA-N 1 3 355.523 2.475 10 0 FEAEHO COc1ccc(CNCCCSC)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000011842381 207326613 /nfs/dbraw/zinc/32/66/13/207326613.db2.gz CMUFRDIZVFRWGQ-QGZVFWFLSA-N 1 3 368.543 2.373 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000106126228 543204827 /nfs/dbraw/zinc/20/48/27/543204827.db2.gz LPUURABJVNXLIM-MSOLQXFVSA-N 1 3 361.530 2.058 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000113591855 543491739 /nfs/dbraw/zinc/49/17/39/543491739.db2.gz LCXRCEDBRDFZHD-YLJYHZDGSA-N 1 3 356.514 2.313 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000113591855 543491741 /nfs/dbraw/zinc/49/17/41/543491741.db2.gz LCXRCEDBRDFZHD-YLJYHZDGSA-N 1 3 356.514 2.313 10 0 FEAEHO COCOc1ccc(OC)cc1CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121139452 326316274 /nfs/dbraw/zinc/31/62/74/326316274.db2.gz WYRLTIRBLXCVKN-MRXNPFEDSA-N 1 3 366.502 2.203 10 0 FEAEHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(OC)c1 ZINC000170827395 327100899 /nfs/dbraw/zinc/10/08/99/327100899.db2.gz KYVWIGOAJNBCOD-IEBWSBKVSA-N 1 3 362.518 2.424 10 0 FEAEHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000170829349 327101120 /nfs/dbraw/zinc/10/11/20/327101120.db2.gz JNNJBNAIWCYXOX-SFHVURJKSA-N 1 3 362.518 2.253 10 0 FEAEHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]([NH+](C)C)C3)c(C)c2)CC1 ZINC000170874733 327104340 /nfs/dbraw/zinc/10/43/40/327104340.db2.gz SXRVQPLUHLEBMM-SFHVURJKSA-N 1 3 359.518 2.305 10 0 FEAEHO CCN1CCN(c2cccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000184900104 547896163 /nfs/dbraw/zinc/89/61/63/547896163.db2.gz WGGJMMJKKWUQKU-LJQANCHMSA-N 1 3 357.502 2.140 10 0 FEAEHO CCN1CCN(c2cccc(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000184900104 547896165 /nfs/dbraw/zinc/89/61/65/547896165.db2.gz WGGJMMJKKWUQKU-LJQANCHMSA-N 1 3 357.502 2.140 10 0 FEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1COc2ccccc21 ZINC000246360373 549114035 /nfs/dbraw/zinc/11/40/35/549114035.db2.gz PTYNIXXLSAVLDY-AEFFLSMTSA-N 1 3 360.502 2.178 10 0 FEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1COc2ccccc21 ZINC000246360373 549114039 /nfs/dbraw/zinc/11/40/39/549114039.db2.gz PTYNIXXLSAVLDY-AEFFLSMTSA-N 1 3 360.502 2.178 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000246457563 549137918 /nfs/dbraw/zinc/13/79/18/549137918.db2.gz PPAHLGKPFOITAH-LPHOPBHVSA-N 1 3 357.502 2.176 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000246457563 549137923 /nfs/dbraw/zinc/13/79/23/549137923.db2.gz PPAHLGKPFOITAH-LPHOPBHVSA-N 1 3 357.502 2.176 10 0 FEAEHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000248629618 549471489 /nfs/dbraw/zinc/47/14/89/549471489.db2.gz WAVGIFGLJCSKGV-AZUAARDMSA-N 1 3 359.514 2.186 10 0 FEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000249234018 549572318 /nfs/dbraw/zinc/57/23/18/549572318.db2.gz VVGVKCJORJAGJN-MSOLQXFVSA-N 1 3 372.513 2.080 10 0 FEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000249234018 549572322 /nfs/dbraw/zinc/57/23/22/549572322.db2.gz VVGVKCJORJAGJN-MSOLQXFVSA-N 1 3 372.513 2.080 10 0 FEAEHO CC(C)N1CCC([NH2+][C@@H]2CC[C@@H]2NS(=O)(=O)Cc2ccccc2)CC1 ZINC000072435094 670495752 /nfs/dbraw/zinc/49/57/52/670495752.db2.gz AMWPAISPEIZOMY-MOPGFXCFSA-N 1 3 365.543 2.099 10 0 FEAEHO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000180620374 327694108 /nfs/dbraw/zinc/69/41/08/327694108.db2.gz YDTLLQXHGOQYDM-RDJZCZTQSA-N 1 3 357.502 2.447 10 0 FEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190692057 328224888 /nfs/dbraw/zinc/22/48/88/328224888.db2.gz KDYMPJOJMWAWOY-IEBWSBKVSA-N 1 3 361.534 2.275 10 0 FEAEHO CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)c2C1 ZINC000170843341 327102164 /nfs/dbraw/zinc/10/21/64/327102164.db2.gz OJUQGTNCFWYAIE-RDJZCZTQSA-N 1 3 372.513 2.148 10 0 FEAEHO Cc1ccccc1CN1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171900354 327168610 /nfs/dbraw/zinc/16/86/10/327168610.db2.gz HUMSWCWTPXXQET-HXUWFJFHSA-N 1 3 356.514 2.449 10 0 FEAEHO Cc1ccccc1CN1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171900354 327168612 /nfs/dbraw/zinc/16/86/12/327168612.db2.gz HUMSWCWTPXXQET-HXUWFJFHSA-N 1 3 356.514 2.449 10 0 FEAEHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000246628789 549177909 /nfs/dbraw/zinc/17/79/09/549177909.db2.gz NXESBYXTYDLUAO-ZWKOTPCHSA-N 1 3 368.566 2.033 10 0 FEAEHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000246628789 549177912 /nfs/dbraw/zinc/17/79/12/549177912.db2.gz NXESBYXTYDLUAO-ZWKOTPCHSA-N 1 3 368.566 2.033 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000246779112 549210249 /nfs/dbraw/zinc/21/02/49/549210249.db2.gz BDUCJJOBULNFSR-CTNGQTDRSA-N 1 3 370.541 2.284 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000246779112 549210252 /nfs/dbraw/zinc/21/02/52/549210252.db2.gz BDUCJJOBULNFSR-CTNGQTDRSA-N 1 3 370.541 2.284 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000247023486 549266553 /nfs/dbraw/zinc/26/65/53/549266553.db2.gz HNCDPSJEBJRHGR-QFBILLFUSA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000247023486 549266557 /nfs/dbraw/zinc/26/65/57/549266557.db2.gz HNCDPSJEBJRHGR-QFBILLFUSA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)OC[C@@H](O)C[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000247780317 549380916 /nfs/dbraw/zinc/38/09/16/549380916.db2.gz XLTOMJROYMAUHQ-LEWJYISDSA-N 1 3 364.530 2.150 10 0 FEAEHO CC(C)OC[C@@H](O)C[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000247780317 549380919 /nfs/dbraw/zinc/38/09/19/549380919.db2.gz XLTOMJROYMAUHQ-LEWJYISDSA-N 1 3 364.530 2.150 10 0 FEAEHO CC(C)c1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc(N2CCN3CCC[C@H]3C2)n1 ZINC000302766502 553731617 /nfs/dbraw/zinc/73/16/17/553731617.db2.gz LSXARSCEXQZMQC-ROUUACIJSA-N 1 3 370.545 2.169 10 0 FEAEHO CC(C)c1cc(N2CC[N@H+]3CCC[C@H]3C2)nc(N2CCN3CCC[C@H]3C2)n1 ZINC000302766502 553731620 /nfs/dbraw/zinc/73/16/20/553731620.db2.gz LSXARSCEXQZMQC-ROUUACIJSA-N 1 3 370.545 2.169 10 0 FEAEHO CCN1CCC[C@H](NC(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)C1 ZINC000129105912 544090640 /nfs/dbraw/zinc/09/06/40/544090640.db2.gz SKTKUHWQPYMVEA-IBGZPJMESA-N 1 3 368.566 2.251 10 0 FEAEHO CCN1CCC[C@H](NC(=O)N2CCC(CCC[N@@H+](C)CCOC)CC2)C1 ZINC000129105912 544090641 /nfs/dbraw/zinc/09/06/41/544090641.db2.gz SKTKUHWQPYMVEA-IBGZPJMESA-N 1 3 368.566 2.251 10 0 FEAEHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000190686673 328224755 /nfs/dbraw/zinc/22/47/55/328224755.db2.gz AZGIYWIJOSXHIR-FQEVSTJZSA-N 1 3 373.545 2.421 10 0 FEAEHO COC(=O)c1oc([C@H](C)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000121004510 326305600 /nfs/dbraw/zinc/30/56/00/326305600.db2.gz MUKHOHHCRXVSAO-CABCVRRESA-N 1 3 352.475 2.460 10 0 FEAEHO C[C@H](C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)N1CCOCC1 ZINC000132855930 326599093 /nfs/dbraw/zinc/59/90/93/326599093.db2.gz BSHOLYADVMGWFS-GOSISDBHSA-N 1 3 360.546 2.027 10 0 FEAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000173753909 327281278 /nfs/dbraw/zinc/28/12/78/327281278.db2.gz ZUYSQSGPCIYIAN-RBUKOAKNSA-N 1 3 374.529 2.395 10 0 FEAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000173753909 327281280 /nfs/dbraw/zinc/28/12/80/327281280.db2.gz ZUYSQSGPCIYIAN-RBUKOAKNSA-N 1 3 374.529 2.395 10 0 FEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000173753891 327281334 /nfs/dbraw/zinc/28/13/34/327281334.db2.gz ZUYSQSGPCIYIAN-RTBURBONSA-N 1 3 374.529 2.395 10 0 FEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000173753891 327281336 /nfs/dbraw/zinc/28/13/36/327281336.db2.gz ZUYSQSGPCIYIAN-RTBURBONSA-N 1 3 374.529 2.395 10 0 FEAEHO CCC[C@H](C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)N(C)C ZINC000179547161 546975460 /nfs/dbraw/zinc/97/54/60/546975460.db2.gz LTPHYRCFJHZQCN-HXUWFJFHSA-N 1 3 360.546 2.435 10 0 FEAEHO CCN1CCCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247063415 549274670 /nfs/dbraw/zinc/27/46/70/549274670.db2.gz XOEQKVRDTDRSLG-LEWJYISDSA-N 1 3 373.541 2.423 10 0 FEAEHO N[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000261780686 549755147 /nfs/dbraw/zinc/75/51/47/549755147.db2.gz MZFLDTVIXRDPKX-IFMALSPDSA-N 1 3 371.525 2.255 10 0 FEAEHO N[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000261780686 549755148 /nfs/dbraw/zinc/75/51/48/549755148.db2.gz MZFLDTVIXRDPKX-IFMALSPDSA-N 1 3 371.525 2.255 10 0 FEAEHO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000385663278 558606563 /nfs/dbraw/zinc/60/65/63/558606563.db2.gz LBVISKMCDNULIU-FUMNGEBKSA-N 1 3 360.498 2.191 10 0 FEAEHO COc1ccc(CNCCCSC)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000011842382 207326046 /nfs/dbraw/zinc/32/60/46/207326046.db2.gz CMUFRDIZVFRWGQ-KRWDZBQOSA-N 1 3 368.543 2.373 10 0 FEAEHO C[NH+](C)[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000112217214 543434923 /nfs/dbraw/zinc/43/49/23/543434923.db2.gz DDEBSPBJGOTUOL-MRXNPFEDSA-N 1 3 354.564 2.084 10 0 FEAEHO C[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000116791102 543615848 /nfs/dbraw/zinc/61/58/48/543615848.db2.gz LEOWLVRVVWWQPT-GHTZIAJQSA-N 1 3 373.541 2.119 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000176893770 546501967 /nfs/dbraw/zinc/50/19/67/546501967.db2.gz JUFJXMILTZXAQG-GOSISDBHSA-N 1 3 373.541 2.447 10 0 FEAEHO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246260712 549091826 /nfs/dbraw/zinc/09/18/26/549091826.db2.gz GHCQZLKJPBQZHP-XLAORIBOSA-N 1 3 353.551 2.189 10 0 FEAEHO Cc1cc(N2CCN(C3CCN(c4ccccc4C)CC3)CC2)nc(N)[nH+]1 ZINC000065493805 221225789 /nfs/dbraw/zinc/22/57/89/221225789.db2.gz IUVKEFMVJKBZIR-UHFFFAOYSA-N 1 3 366.513 2.467 10 0 FEAEHO CN(CC(=O)NC(C)(C)C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128128 543205944 /nfs/dbraw/zinc/20/59/44/543205944.db2.gz DPIGSIZUKHDRPY-LJQANCHMSA-N 1 3 361.530 2.279 10 0 FEAEHO CCCCNC(=O)[C@H](C)[NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000112550004 543451447 /nfs/dbraw/zinc/45/14/47/543451447.db2.gz UCCVCMVKCAWRCC-FXAWDEMLSA-N 1 3 361.530 2.326 10 0 FEAEHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCO[C@@H](CN(C)C)C2)CC1 ZINC000117052332 543622710 /nfs/dbraw/zinc/62/27/10/543622710.db2.gz VLEIBXMVDGGHEI-XLIONFOSSA-N 1 3 374.529 2.184 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000247490711 549342845 /nfs/dbraw/zinc/34/28/45/549342845.db2.gz WVSKYKLZAFHYED-DLBZAZTESA-N 1 3 368.591 2.376 10 0 FEAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000247490711 549342850 /nfs/dbraw/zinc/34/28/50/549342850.db2.gz WVSKYKLZAFHYED-DLBZAZTESA-N 1 3 368.591 2.376 10 0 FEAEHO CCC[C@H](C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)N(C)C ZINC000130956596 544172300 /nfs/dbraw/zinc/17/23/00/544172300.db2.gz GWAWUYCLDBCESA-WOJBJXKFSA-N 1 3 361.530 2.279 10 0 FEAEHO CN(C)C[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000117024629 326047937 /nfs/dbraw/zinc/04/79/37/326047937.db2.gz YNDNFBICLOYZLR-GOSISDBHSA-N 1 3 366.550 2.147 10 0 FEAEHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000117030800 326048045 /nfs/dbraw/zinc/04/80/45/326048045.db2.gz ASPPCBMGBZUPQU-LJQANCHMSA-N 1 3 362.518 2.000 10 0 FEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000121390347 326335192 /nfs/dbraw/zinc/33/51/92/326335192.db2.gz XBRLOWKOCLSTJN-QRVBRYPASA-N 1 3 368.566 2.030 10 0 FEAEHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC[NH2+]1 ZINC000262403758 328863716 /nfs/dbraw/zinc/86/37/16/328863716.db2.gz OMDZQVIEQZWALK-XYJFISCASA-N 1 3 357.498 2.479 10 0 FEAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000176867168 546498419 /nfs/dbraw/zinc/49/84/19/546498419.db2.gz OSNTYGIVRIVLAD-GHTZIAJQSA-N 1 3 373.541 2.202 10 0 FEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000177390667 546607575 /nfs/dbraw/zinc/60/75/75/546607575.db2.gz KVYNDRUPWMUZAO-GOSISDBHSA-N 1 3 362.518 2.253 10 0 FEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000177390667 546607578 /nfs/dbraw/zinc/60/75/78/546607578.db2.gz KVYNDRUPWMUZAO-GOSISDBHSA-N 1 3 362.518 2.253 10 0 FEAEHO COc1cc(OC)c(OC)cc1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179516699 546970035 /nfs/dbraw/zinc/97/00/35/546970035.db2.gz XGLIDOUVNSCUQN-HNNXBMFYSA-N 1 3 366.502 2.237 10 0 FEAEHO CN(C)[C@H]1CCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000179805756 547014955 /nfs/dbraw/zinc/01/49/55/547014955.db2.gz KLBXMTXXXCLCDX-IBGZPJMESA-N 1 3 374.529 2.049 10 0 FEAEHO CN(C[C@H](O)C(F)(F)F)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000181689850 547360682 /nfs/dbraw/zinc/36/06/82/547360682.db2.gz FRLDRBNUHQULAJ-IRXDYDNUSA-N 1 3 360.420 2.287 10 0 FEAEHO CN(C[C@H](O)C(F)(F)F)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000181689869 547360721 /nfs/dbraw/zinc/36/07/21/547360721.db2.gz FRLDRBNUHQULAJ-SJORKVTESA-N 1 3 360.420 2.287 10 0 FEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000245469276 548929723 /nfs/dbraw/zinc/92/97/23/548929723.db2.gz LREXUHZKGINITQ-MOPGFXCFSA-N 1 3 366.550 2.144 10 0 FEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000245469276 548929725 /nfs/dbraw/zinc/92/97/25/548929725.db2.gz LREXUHZKGINITQ-MOPGFXCFSA-N 1 3 366.550 2.144 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000245540887 548941752 /nfs/dbraw/zinc/94/17/52/548941752.db2.gz PSJVUGFAZXPKGO-VQIMIIECSA-N 1 3 359.518 2.326 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000245540887 548941754 /nfs/dbraw/zinc/94/17/54/548941754.db2.gz PSJVUGFAZXPKGO-VQIMIIECSA-N 1 3 359.518 2.326 10 0 FEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000245662354 548969757 /nfs/dbraw/zinc/96/97/57/548969757.db2.gz DIKPMJMGJDIJSD-MOPGFXCFSA-N 1 3 374.529 2.395 10 0 FEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000245662354 548969762 /nfs/dbraw/zinc/96/97/62/548969762.db2.gz DIKPMJMGJDIJSD-MOPGFXCFSA-N 1 3 374.529 2.395 10 0 FEAEHO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247809011 549382892 /nfs/dbraw/zinc/38/28/92/549382892.db2.gz UGRHBIDBWQSTCK-IMBTUZDBSA-N 1 3 353.551 2.094 10 0 FEAEHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653151921 677517749 /nfs/dbraw/zinc/51/77/49/677517749.db2.gz XXBOCLJLNJIKSK-LCGIIJARSA-N 1 3 355.404 2.021 10 0 FEAEHO CCCCNC(=O)CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128134 543205957 /nfs/dbraw/zinc/20/59/57/543205957.db2.gz UDXSQNSACKORAC-HXUWFJFHSA-N 1 3 361.530 2.280 10 0 FEAEHO CCC[C@@H](C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)N(C)C ZINC000130955956 544172212 /nfs/dbraw/zinc/17/22/12/544172212.db2.gz GWAWUYCLDBCESA-PMACEKPBSA-N 1 3 361.530 2.279 10 0 FEAEHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247513730 549348721 /nfs/dbraw/zinc/34/87/21/549348721.db2.gz QGSMYJPEVDVVRH-SJORKVTESA-N 1 3 362.543 2.450 10 0 FEAEHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247513730 549348725 /nfs/dbraw/zinc/34/87/25/549348725.db2.gz QGSMYJPEVDVVRH-SJORKVTESA-N 1 3 362.543 2.450 10 0 FEAEHO C[C@@H](CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)C[NH+]1CCCC1 ZINC000190697432 328225505 /nfs/dbraw/zinc/22/55/05/328225505.db2.gz BDMXDHGISWEFKP-ICSRJNTNSA-N 1 3 373.545 2.277 10 0 FEAEHO CN(C)C[C@@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000163730281 327057530 /nfs/dbraw/zinc/05/75/30/327057530.db2.gz FCFDFMNBXUZNRC-LJQANCHMSA-N 1 3 359.514 2.078 10 0 FEAEHO COc1ccc(CN2CCC(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC000170835101 327101418 /nfs/dbraw/zinc/10/14/18/327101418.db2.gz BLMRKAWVJDVFGI-LJQANCHMSA-N 1 3 374.529 2.253 10 0 FEAEHO OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@@H]3[C@H]3COCCN3)c2)CC1 ZINC000261874598 328826130 /nfs/dbraw/zinc/82/61/30/328826130.db2.gz DPEFXSZBYABXLA-BHDDXSALSA-N 1 3 373.541 2.460 10 0 FEAEHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@H]3c3cn[nH]c3)CC2)CC1 ZINC000182537910 547510041 /nfs/dbraw/zinc/51/00/41/547510041.db2.gz SYMYGHGOZIVVLL-IBGZPJMESA-N 1 3 374.533 2.205 10 0 FEAEHO c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000248411165 549432007 /nfs/dbraw/zinc/43/20/07/549432007.db2.gz YYIZJBVCOGJZGD-HAGHYFMRSA-N 1 3 351.498 2.483 10 0 FEAEHO N[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000261780690 549755066 /nfs/dbraw/zinc/75/50/66/549755066.db2.gz MZFLDTVIXRDPKX-IRLDBZIGSA-N 1 3 371.525 2.255 10 0 FEAEHO N[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000261780690 549755067 /nfs/dbraw/zinc/75/50/67/549755067.db2.gz MZFLDTVIXRDPKX-IRLDBZIGSA-N 1 3 371.525 2.255 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000113445023 543488800 /nfs/dbraw/zinc/48/88/00/543488800.db2.gz BDUCJJOBULNFSR-TZIWHRDSSA-N 1 3 370.541 2.284 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000113445023 543488801 /nfs/dbraw/zinc/48/88/01/543488801.db2.gz BDUCJJOBULNFSR-TZIWHRDSSA-N 1 3 370.541 2.284 10 0 FEAEHO C[C@@H](C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000114539303 543522834 /nfs/dbraw/zinc/52/28/34/543522834.db2.gz NGUJFTSNDNYERR-KSZLIROESA-N 1 3 373.545 2.053 10 0 FEAEHO C[C@@H](C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000114539303 543522836 /nfs/dbraw/zinc/52/28/36/543522836.db2.gz NGUJFTSNDNYERR-KSZLIROESA-N 1 3 373.545 2.053 10 0 FEAEHO C[C@H](CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)C[NH+]1CCCC1 ZINC000190697448 328225446 /nfs/dbraw/zinc/22/54/46/328225446.db2.gz BDMXDHGISWEFKP-QUCCMNQESA-N 1 3 373.545 2.277 10 0 FEAEHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000190708140 328226416 /nfs/dbraw/zinc/22/64/16/328226416.db2.gz JXFJKLVEOZQQGE-LJQANCHMSA-N 1 3 373.545 2.419 10 0 FEAEHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000190708140 328226418 /nfs/dbraw/zinc/22/64/18/328226418.db2.gz JXFJKLVEOZQQGE-LJQANCHMSA-N 1 3 373.545 2.419 10 0 FEAEHO C[C@H]1CN(CCC2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000261921813 328829609 /nfs/dbraw/zinc/82/96/09/328829609.db2.gz YYUWLADGPWEHRZ-RNIPGJKVSA-N 1 3 351.535 2.099 10 0 FEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000176228902 546422238 /nfs/dbraw/zinc/42/22/38/546422238.db2.gz AXFZIXKRMABBQS-KRWDZBQOSA-N 1 3 368.591 2.474 10 0 FEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000176228902 546422240 /nfs/dbraw/zinc/42/22/40/546422240.db2.gz AXFZIXKRMABBQS-KRWDZBQOSA-N 1 3 368.591 2.474 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000252443588 549665447 /nfs/dbraw/zinc/66/54/47/549665447.db2.gz DALKTWVRUWDLNO-WMZOPIPTSA-N 1 3 360.502 2.005 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000252443588 549665450 /nfs/dbraw/zinc/66/54/50/549665450.db2.gz DALKTWVRUWDLNO-WMZOPIPTSA-N 1 3 360.502 2.005 10 0 FEAEHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1C[NH2+]CCC1(F)F ZINC000649305145 677329033 /nfs/dbraw/zinc/32/90/33/677329033.db2.gz GPSUODOOHCYZRM-IAGOWNOFSA-N 1 3 351.441 2.402 10 0 FEAEHO CCN(CC)C(=O)[C@@H](C)[NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000112550023 543451557 /nfs/dbraw/zinc/45/15/57/543451557.db2.gz AQWHIPFPBQEPQZ-YLJYHZDGSA-N 1 3 361.530 2.279 10 0 FEAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000187682570 328039286 /nfs/dbraw/zinc/03/92/86/328039286.db2.gz DXOIAWGJRQKARN-HOTGVXAUSA-N 1 3 368.543 2.176 10 0 FEAEHO CN(C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)C1CCN(CCc2ccccn2)CC1 ZINC000092328656 325410647 /nfs/dbraw/zinc/41/06/47/325410647.db2.gz BGASRKXLGKRWJU-QUCCMNQESA-N 1 3 373.545 2.213 10 0 FEAEHO C[N@H+](CC[C@H]1CCOC1=O)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000120475260 326261835 /nfs/dbraw/zinc/26/18/35/326261835.db2.gz MXHDWQYTQGOOOW-PMACEKPBSA-N 1 3 360.498 2.317 10 0 FEAEHO C[N@@H+](CC[C@H]1CCOC1=O)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000120475260 326261837 /nfs/dbraw/zinc/26/18/37/326261837.db2.gz MXHDWQYTQGOOOW-PMACEKPBSA-N 1 3 360.498 2.317 10 0 FEAEHO COc1ccc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)c(OC)c1OC ZINC000121097056 326312900 /nfs/dbraw/zinc/31/29/00/326312900.db2.gz CNBGQBKORLOINS-HNNXBMFYSA-N 1 3 366.502 2.237 10 0 FEAEHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000261807618 328820974 /nfs/dbraw/zinc/82/09/74/328820974.db2.gz NBTDETKTJNQTIM-ZAWLATJESA-N 1 3 351.535 2.242 10 0 FEAEHO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000192344559 548362560 /nfs/dbraw/zinc/36/25/60/548362560.db2.gz DMBRDHLZQQQMJE-VQTJNVASSA-N 1 3 374.529 2.061 10 0 FEAEHO CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000192344559 548362563 /nfs/dbraw/zinc/36/25/63/548362563.db2.gz DMBRDHLZQQQMJE-VQTJNVASSA-N 1 3 374.529 2.061 10 0 FEAEHO C[C@H](O)CN1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000245704727 548979938 /nfs/dbraw/zinc/97/99/38/548979938.db2.gz DTVGBRVNSGRNID-MOPGFXCFSA-N 1 3 374.573 2.104 10 0 FEAEHO C[C@@H](NC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000247807964 549383495 /nfs/dbraw/zinc/38/34/95/549383495.db2.gz TYFBZETYNLMBLR-RCCFBDPRSA-N 1 3 361.530 2.277 10 0 FEAEHO CC(C)c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc(N2CCN3CCC[C@@H]3C2)n1 ZINC000302766500 553731800 /nfs/dbraw/zinc/73/18/00/553731800.db2.gz LSXARSCEXQZMQC-QZTJIDSGSA-N 1 3 370.545 2.169 10 0 FEAEHO CC(C)c1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc(N2CCN3CCC[C@@H]3C2)n1 ZINC000302766500 553731801 /nfs/dbraw/zinc/73/18/01/553731801.db2.gz LSXARSCEXQZMQC-QZTJIDSGSA-N 1 3 370.545 2.169 10 0 FEAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000106126225 543204643 /nfs/dbraw/zinc/20/46/43/543204643.db2.gz LPUURABJVNXLIM-ROUUACIJSA-N 1 3 361.530 2.058 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000113445026 543488805 /nfs/dbraw/zinc/48/88/05/543488805.db2.gz BDUCJJOBULNFSR-PZJWPPBQSA-N 1 3 370.541 2.284 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000113445026 543488806 /nfs/dbraw/zinc/48/88/06/543488806.db2.gz BDUCJJOBULNFSR-PZJWPPBQSA-N 1 3 370.541 2.284 10 0 FEAEHO CCc1nccn1[C@@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114456716 543517177 /nfs/dbraw/zinc/51/71/77/543517177.db2.gz ZTORERDGHSCRMG-GOSISDBHSA-N 1 3 361.534 2.071 10 0 FEAEHO CCN(C)C(=O)CC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000130352067 544148095 /nfs/dbraw/zinc/14/80/95/544148095.db2.gz BRUHSVJNESVLOA-HXUWFJFHSA-N 1 3 361.530 2.232 10 0 FEAEHO CCN(C)C(=O)CC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000130352067 544148097 /nfs/dbraw/zinc/14/80/97/544148097.db2.gz BRUHSVJNESVLOA-HXUWFJFHSA-N 1 3 361.530 2.232 10 0 FEAEHO CCC[C@H](C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)N(C)C ZINC000130956163 544172078 /nfs/dbraw/zinc/17/20/78/544172078.db2.gz GWAWUYCLDBCESA-UXHICEINSA-N 1 3 361.530 2.279 10 0 FEAEHO CC[C@@H](C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)N(C)C ZINC000131759325 544205225 /nfs/dbraw/zinc/20/52/25/544205225.db2.gz JTEDWXIKRMATJH-PMACEKPBSA-N 1 3 361.530 2.231 10 0 FEAEHO CCN1CCN(CCOc2cc(Cl)cc(N3CC[NH2+]CC3)c2C)CC1 ZINC000149923374 544460241 /nfs/dbraw/zinc/46/02/41/544460241.db2.gz FNSRDZSZLGZKCM-UHFFFAOYSA-N 1 3 366.937 2.074 10 0 FEAEHO CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190692038 328224992 /nfs/dbraw/zinc/22/49/92/328224992.db2.gz KDYMPJOJMWAWOY-PKOBYXMFSA-N 1 3 361.534 2.275 10 0 FEAEHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCN2CCC[C@@H]2C1 ZINC000171907204 327169568 /nfs/dbraw/zinc/16/95/68/327169568.db2.gz AROAXUWFEJQGOE-VQTJNVASSA-N 1 3 356.514 2.041 10 0 FEAEHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCN2CCC[C@@H]2C1 ZINC000171907204 327169570 /nfs/dbraw/zinc/16/95/70/327169570.db2.gz AROAXUWFEJQGOE-VQTJNVASSA-N 1 3 356.514 2.041 10 0 FEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1COc2ccccc21 ZINC000174440237 327327208 /nfs/dbraw/zinc/32/72/08/327327208.db2.gz PTYNIXXLSAVLDY-SJLPKXTDSA-N 1 3 360.502 2.178 10 0 FEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1COc2ccccc21 ZINC000174440237 327327209 /nfs/dbraw/zinc/32/72/09/327327209.db2.gz PTYNIXXLSAVLDY-SJLPKXTDSA-N 1 3 360.502 2.178 10 0 FEAEHO CC(C)N1CC[C@@H]([NH2+]CC2CCN(C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175191145 327378906 /nfs/dbraw/zinc/37/89/06/327378906.db2.gz LACLQPUMZCSRHC-UXHICEINSA-N 1 3 359.514 2.031 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179423152 546950730 /nfs/dbraw/zinc/95/07/30/546950730.db2.gz SCDVMKKHIJNCED-GOSISDBHSA-N 1 3 356.514 2.456 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000180361806 547091479 /nfs/dbraw/zinc/09/14/79/547091479.db2.gz PSJVUGFAZXPKGO-APWZRJJASA-N 1 3 359.518 2.326 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000180361806 547091482 /nfs/dbraw/zinc/09/14/82/547091482.db2.gz PSJVUGFAZXPKGO-APWZRJJASA-N 1 3 359.518 2.326 10 0 FEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000246294233 549098216 /nfs/dbraw/zinc/09/82/16/549098216.db2.gz BHNHJPPEDBNUIG-KVPLUYHFSA-N 1 3 358.530 2.489 10 0 FEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000246294233 549098222 /nfs/dbraw/zinc/09/82/22/549098222.db2.gz BHNHJPPEDBNUIG-KVPLUYHFSA-N 1 3 358.530 2.489 10 0 FEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1COc2ccccc21 ZINC000246360384 549114256 /nfs/dbraw/zinc/11/42/56/549114256.db2.gz PTYNIXXLSAVLDY-WMZOPIPTSA-N 1 3 360.502 2.178 10 0 FEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1COc2ccccc21 ZINC000246360384 549114260 /nfs/dbraw/zinc/11/42/60/549114260.db2.gz PTYNIXXLSAVLDY-WMZOPIPTSA-N 1 3 360.502 2.178 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000252443587 549665429 /nfs/dbraw/zinc/66/54/29/549665429.db2.gz DALKTWVRUWDLNO-AEFFLSMTSA-N 1 3 360.502 2.005 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000252443587 549665431 /nfs/dbraw/zinc/66/54/31/549665431.db2.gz DALKTWVRUWDLNO-AEFFLSMTSA-N 1 3 360.502 2.005 10 0 FEAEHO CC(C)C[N@H+]1CCc2nnc([C@H]3CCN(Cc4cccnc4)C3)n2CC1 ZINC000257184343 549713470 /nfs/dbraw/zinc/71/34/70/549713470.db2.gz ILJMTSGMVFMXCZ-SFHVURJKSA-N 1 3 354.502 2.177 10 0 FEAEHO CC(C)C[N@@H+]1CCc2nnc([C@H]3CCN(Cc4cccnc4)C3)n2CC1 ZINC000257184343 549713474 /nfs/dbraw/zinc/71/34/74/549713474.db2.gz ILJMTSGMVFMXCZ-SFHVURJKSA-N 1 3 354.502 2.177 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000247400626 549329250 /nfs/dbraw/zinc/32/92/50/549329250.db2.gz LMDQMWPNYMACFQ-UWJYYQICSA-N 1 3 371.525 2.200 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000247400626 549329253 /nfs/dbraw/zinc/32/92/53/549329253.db2.gz LMDQMWPNYMACFQ-UWJYYQICSA-N 1 3 371.525 2.200 10 0 FEAEHO CC(C)N1C[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC000132361195 544228641 /nfs/dbraw/zinc/22/86/41/544228641.db2.gz IJQYLXBBWOEJFW-HKUYNNGSSA-N 1 3 366.550 2.002 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000247501523 549346541 /nfs/dbraw/zinc/34/65/41/549346541.db2.gz XPUFVUPZWNASEJ-AZUAARDMSA-N 1 3 358.530 2.044 10 0 FEAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000247501523 549346542 /nfs/dbraw/zinc/34/65/42/549346542.db2.gz XPUFVUPZWNASEJ-AZUAARDMSA-N 1 3 358.530 2.044 10 0 FEAEHO CCC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1)N(C)C ZINC000190516703 328213054 /nfs/dbraw/zinc/21/30/54/328213054.db2.gz MRPXCHBJBZLJTA-JKSUJKDBSA-N 1 3 352.548 2.462 10 0 FEAEHO CCC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1)N(C)C ZINC000190516703 328213055 /nfs/dbraw/zinc/21/30/55/328213055.db2.gz MRPXCHBJBZLJTA-JKSUJKDBSA-N 1 3 352.548 2.462 10 0 FEAEHO CCN(CC)[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccsc1 ZINC000117031419 326048534 /nfs/dbraw/zinc/04/85/34/326048534.db2.gz LLEZZVMIWSWRFR-DLBZAZTESA-N 1 3 368.547 2.103 10 0 FEAEHO CC(C)N1CC[C@H]([NH2+]CC2CCN(C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175191127 327378972 /nfs/dbraw/zinc/37/89/72/327378972.db2.gz LACLQPUMZCSRHC-PMACEKPBSA-N 1 3 359.514 2.031 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@@H+]3CC)cc2)CC1 ZINC000177014952 546523567 /nfs/dbraw/zinc/52/35/67/546523567.db2.gz XZWGSUXJDZMTLD-HXUWFJFHSA-N 1 3 358.530 2.385 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@H+]3CC)cc2)CC1 ZINC000177014952 546523573 /nfs/dbraw/zinc/52/35/73/546523573.db2.gz XZWGSUXJDZMTLD-HXUWFJFHSA-N 1 3 358.530 2.385 10 0 FEAEHO CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)C1CC[NH+](C)CC1 ZINC000177465839 546625443 /nfs/dbraw/zinc/62/54/43/546625443.db2.gz KGFVYZKMAAIRJZ-NRFANRHFSA-N 1 3 373.541 2.232 10 0 FEAEHO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000180620354 547143758 /nfs/dbraw/zinc/14/37/58/547143758.db2.gz YDTLLQXHGOQYDM-DOTOQJQBSA-N 1 3 357.502 2.447 10 0 FEAEHO COc1ccccc1C[N@@H+]1C[C@H](C(=O)NC2CC2)C2(C1)CCN(C)CC2 ZINC000257174905 549711627 /nfs/dbraw/zinc/71/16/27/549711627.db2.gz LVEBGJXZEREBPQ-GOSISDBHSA-N 1 3 357.498 2.118 10 0 FEAEHO COc1ccccc1C[N@H+]1C[C@H](C(=O)NC2CC2)C2(C1)CCN(C)CC2 ZINC000257174905 549711632 /nfs/dbraw/zinc/71/16/32/549711632.db2.gz LVEBGJXZEREBPQ-GOSISDBHSA-N 1 3 357.498 2.118 10 0 FEAEHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C1CC[NH2+]CC1 ZINC000237151096 328506774 /nfs/dbraw/zinc/50/67/74/328506774.db2.gz AGAUHECYCVFTFJ-UHFFFAOYSA-N 1 3 368.319 2.339 10 0 FEAEHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117028051 326047445 /nfs/dbraw/zinc/04/74/45/326047445.db2.gz PXZFTJWNERGBCX-LJQANCHMSA-N 1 3 362.518 2.000 10 0 FEAEHO CCN(CC)[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccsc1 ZINC000117031416 326048645 /nfs/dbraw/zinc/04/86/45/326048645.db2.gz LLEZZVMIWSWRFR-IRXDYDNUSA-N 1 3 368.547 2.103 10 0 FEAEHO C[N@H+](CC[C@@H]1CCOC1=O)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000120475100 326261915 /nfs/dbraw/zinc/26/19/15/326261915.db2.gz MXHDWQYTQGOOOW-UXHICEINSA-N 1 3 360.498 2.317 10 0 FEAEHO C[N@@H+](CC[C@@H]1CCOC1=O)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000120475100 326261916 /nfs/dbraw/zinc/26/19/16/326261916.db2.gz MXHDWQYTQGOOOW-UXHICEINSA-N 1 3 360.498 2.317 10 0 FEAEHO COC(=O)c1oc([C@@H](C)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000121004339 326305564 /nfs/dbraw/zinc/30/55/64/326305564.db2.gz MUKHOHHCRXVSAO-HUUCEWRRSA-N 1 3 352.475 2.460 10 0 FEAEHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000171900714 327168640 /nfs/dbraw/zinc/16/86/40/327168640.db2.gz KTYJRWAIBAOKAJ-IBGZPJMESA-N 1 3 374.529 2.397 10 0 FEAEHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN2CCC[C@@H]2C1)Cc1ccccc1 ZINC000171900861 546229434 /nfs/dbraw/zinc/22/94/34/546229434.db2.gz WFNALJAOUIGCMH-WOJBJXKFSA-N 1 3 358.530 2.429 10 0 FEAEHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000176903793 546505440 /nfs/dbraw/zinc/50/54/40/546505440.db2.gz XCMWSEOUNVQZKM-LJQANCHMSA-N 1 3 374.529 2.410 10 0 FEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000177448860 546620551 /nfs/dbraw/zinc/62/05/51/546620551.db2.gz CZDRCGVTLKNINN-GOSISDBHSA-N 1 3 362.518 2.253 10 0 FEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000177448860 546620556 /nfs/dbraw/zinc/62/05/56/546620556.db2.gz CZDRCGVTLKNINN-GOSISDBHSA-N 1 3 362.518 2.253 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000246741812 549201683 /nfs/dbraw/zinc/20/16/83/549201683.db2.gz AZVIJUKOWOYGBG-YLJYHZDGSA-N 1 3 358.530 2.463 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000246741812 549201686 /nfs/dbraw/zinc/20/16/86/549201686.db2.gz AZVIJUKOWOYGBG-YLJYHZDGSA-N 1 3 358.530 2.463 10 0 FEAEHO Cc1ccc(N2CC[C@@H](N(C)CC3CC[NH+](C[C@H](C)O)CC3)C2=O)cc1 ZINC000246776330 549209245 /nfs/dbraw/zinc/20/92/45/549209245.db2.gz OJKKRFNSBNXRRS-FXAWDEMLSA-N 1 3 359.514 2.125 10 0 FEAEHO CC[NH+](CC)[C@H](CNC(=O)N1CCN2CCC[C@H]2C1)Cc1ccccc1 ZINC000247649672 549368904 /nfs/dbraw/zinc/36/89/04/549368904.db2.gz WFNALJAOUIGCMH-PMACEKPBSA-N 1 3 358.530 2.429 10 0 FEAEHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000111881060 543422689 /nfs/dbraw/zinc/42/26/89/543422689.db2.gz NXESBYXTYDLUAO-MSOLQXFVSA-N 1 3 368.566 2.033 10 0 FEAEHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000111881060 543422691 /nfs/dbraw/zinc/42/26/91/543422691.db2.gz NXESBYXTYDLUAO-MSOLQXFVSA-N 1 3 368.566 2.033 10 0 FEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190692091 328225078 /nfs/dbraw/zinc/22/50/78/328225078.db2.gz KDYMPJOJMWAWOY-MJGOQNOKSA-N 1 3 361.534 2.275 10 0 FEAEHO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000171083070 327116615 /nfs/dbraw/zinc/11/66/15/327116615.db2.gz CCOGKDGYRVGZFI-GOSISDBHSA-N 1 3 362.543 2.446 10 0 FEAEHO CCN1CCN(c2ccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c(C)c2)CC1 ZINC000171806948 327162599 /nfs/dbraw/zinc/16/25/99/327162599.db2.gz PSFQMQDMRRVGSN-LJQANCHMSA-N 1 3 371.529 2.449 10 0 FEAEHO CCN1CCN(c2ccc(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)c(C)c2)CC1 ZINC000171806948 327162600 /nfs/dbraw/zinc/16/26/00/327162600.db2.gz PSFQMQDMRRVGSN-LJQANCHMSA-N 1 3 371.529 2.449 10 0 FEAEHO CCN1CCCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174855456 327355270 /nfs/dbraw/zinc/35/52/70/327355270.db2.gz XOEQKVRDTDRSLG-SFTDATJTSA-N 1 3 373.541 2.423 10 0 FEAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176627771 546469025 /nfs/dbraw/zinc/46/90/25/546469025.db2.gz LREXUHZKGINITQ-RBUKOAKNSA-N 1 3 366.550 2.144 10 0 FEAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176627771 546469029 /nfs/dbraw/zinc/46/90/29/546469029.db2.gz LREXUHZKGINITQ-RBUKOAKNSA-N 1 3 366.550 2.144 10 0 FEAEHO COc1cc(OC)c(OC)cc1CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179516708 546970110 /nfs/dbraw/zinc/97/01/10/546970110.db2.gz XGLIDOUVNSCUQN-OAHLLOKOSA-N 1 3 366.502 2.237 10 0 FEAEHO COc1cccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)N2CCCC2)c1 ZINC000195122593 548580708 /nfs/dbraw/zinc/58/07/08/548580708.db2.gz DHEYMEQWKYMDTJ-HKUYNNGSSA-N 1 3 360.502 2.226 10 0 FEAEHO COc1cccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)N2CCCC2)c1 ZINC000195122593 548580713 /nfs/dbraw/zinc/58/07/13/548580713.db2.gz DHEYMEQWKYMDTJ-HKUYNNGSSA-N 1 3 360.502 2.226 10 0 FEAEHO Cc1nccn1C[C@@H]1CCCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249296652 549577834 /nfs/dbraw/zinc/57/78/34/549577834.db2.gz MOAMDYOCQVFJBR-VQTJNVASSA-N 1 3 369.513 2.075 10 0 FEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653151922 677517656 /nfs/dbraw/zinc/51/76/56/677517656.db2.gz XXBOCLJLNJIKSK-MIGQKNRLSA-N 1 3 355.404 2.021 10 0 FEAEHO CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000653448418 677531446 /nfs/dbraw/zinc/53/14/46/677531446.db2.gz RVJJLRLLDRNWAR-BZUAXINKSA-N 1 3 355.404 2.117 10 0 FEAEHO CN(CC(=O)N1CCCCC1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128340 543206006 /nfs/dbraw/zinc/20/60/06/543206006.db2.gz OFPFATFAYIZLNQ-OAQYLSRUSA-N 1 3 373.541 2.376 10 0 FEAEHO CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)c1ccccc1 ZINC000117025992 543621973 /nfs/dbraw/zinc/62/19/73/543621973.db2.gz ORJPXLQDLYWGES-RTBURBONSA-N 1 3 362.518 2.042 10 0 FEAEHO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000170835481 327101409 /nfs/dbraw/zinc/10/14/09/327101409.db2.gz JWALMVLFCJXSJJ-HZPDHXFCSA-N 1 3 350.532 2.306 10 0 FEAEHO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000248656295 549478965 /nfs/dbraw/zinc/47/89/65/549478965.db2.gz DMBRDHLZQQQMJE-UXHICEINSA-N 1 3 374.529 2.061 10 0 FEAEHO CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000248656295 549478966 /nfs/dbraw/zinc/47/89/66/549478966.db2.gz DMBRDHLZQQQMJE-UXHICEINSA-N 1 3 374.529 2.061 10 0 FEAEHO COC[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CCC[N@@H+]1C ZINC000257183587 549713680 /nfs/dbraw/zinc/71/36/80/549713680.db2.gz HSTYWGYUGVUGFR-WOJBJXKFSA-N 1 3 359.514 2.124 10 0 FEAEHO COC[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CCC[N@H+]1C ZINC000257183587 549713683 /nfs/dbraw/zinc/71/36/83/549713683.db2.gz HSTYWGYUGVUGFR-WOJBJXKFSA-N 1 3 359.514 2.124 10 0 FEAEHO CC(C)NC(=O)CC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106127462 543205078 /nfs/dbraw/zinc/20/50/78/543205078.db2.gz SWXZXZKLMLJELN-HXUWFJFHSA-N 1 3 361.530 2.279 10 0 FEAEHO CC(C)NC(=O)CC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106127462 543205082 /nfs/dbraw/zinc/20/50/82/543205082.db2.gz SWXZXZKLMLJELN-HXUWFJFHSA-N 1 3 361.530 2.279 10 0 FEAEHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCO[C@@H](CN(C)C)C2)CC1 ZINC000117052330 543622738 /nfs/dbraw/zinc/62/27/38/543622738.db2.gz VLEIBXMVDGGHEI-PXNSSMCTSA-N 1 3 374.529 2.184 10 0 FEAEHO C[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000116791107 543615941 /nfs/dbraw/zinc/61/59/41/543615941.db2.gz LEOWLVRVVWWQPT-NQIIRXRSSA-N 1 3 373.541 2.119 10 0 FEAEHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1 ZINC000189495471 328151716 /nfs/dbraw/zinc/15/17/16/328151716.db2.gz KLURGIBCIBVVNS-LPHOPBHVSA-N 1 3 372.513 2.162 10 0 FEAEHO CN(c1ccccc1CN1CC[C@H](N2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000121033191 326307718 /nfs/dbraw/zinc/30/77/18/326307718.db2.gz LVLHOVYIBUWMQY-NRFANRHFSA-N 1 3 372.557 2.124 10 0 FEAEHO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246260738 549091394 /nfs/dbraw/zinc/09/13/94/549091394.db2.gz GHCQZLKJPBQZHP-ZJPYXAASSA-N 1 3 353.551 2.189 10 0 FEAEHO C[C@H](C(=O)N(C)Cc1ccccc1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247605816 549365817 /nfs/dbraw/zinc/36/58/17/549365817.db2.gz LPUURABJVNXLIM-ZWKOTPCHSA-N 1 3 361.530 2.058 10 0 FEAEHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCN2CCC[C@H]2C1)C1CC1 ZINC000251667614 549650664 /nfs/dbraw/zinc/65/06/64/549650664.db2.gz LNZOMRULBHLBTA-PMACEKPBSA-N 1 3 356.514 2.387 10 0 FEAEHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCN2CCC[C@H]2C1)C1CC1 ZINC000251667614 549650667 /nfs/dbraw/zinc/65/06/67/549650667.db2.gz LNZOMRULBHLBTA-PMACEKPBSA-N 1 3 356.514 2.387 10 0 FEAEHO C[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000116791104 543615819 /nfs/dbraw/zinc/61/58/19/543615819.db2.gz LEOWLVRVVWWQPT-WIYYLYMNSA-N 1 3 373.541 2.119 10 0 FEAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000132361032 544228504 /nfs/dbraw/zinc/22/85/04/544228504.db2.gz IJQYLXBBWOEJFW-MJGOQNOKSA-N 1 3 366.550 2.002 10 0 FEAEHO COC(=O)c1cc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)s1 ZINC000151063113 544500905 /nfs/dbraw/zinc/50/09/05/544500905.db2.gz KFRSHKSRQINTKJ-ZDUSSCGKSA-N 1 3 354.516 2.368 10 0 FEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000177390687 546607121 /nfs/dbraw/zinc/60/71/21/546607121.db2.gz KVYNDRUPWMUZAO-SFHVURJKSA-N 1 3 362.518 2.253 10 0 FEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000177390687 546607124 /nfs/dbraw/zinc/60/71/24/546607124.db2.gz KVYNDRUPWMUZAO-SFHVURJKSA-N 1 3 362.518 2.253 10 0 FEAEHO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000180621292 547143916 /nfs/dbraw/zinc/14/39/16/547143916.db2.gz IVDZZXAZWNVRHD-DOTOQJQBSA-N 1 3 357.502 2.447 10 0 FEAEHO CCc1nc2n(n1)C[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180621292 547143917 /nfs/dbraw/zinc/14/39/17/547143917.db2.gz IVDZZXAZWNVRHD-DOTOQJQBSA-N 1 3 357.502 2.447 10 0 FEAEHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCN2CCC[C@H]2C1 ZINC000246696784 549191313 /nfs/dbraw/zinc/19/13/13/549191313.db2.gz AROAXUWFEJQGOE-PMACEKPBSA-N 1 3 356.514 2.041 10 0 FEAEHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCN2CCC[C@H]2C1 ZINC000246696784 549191316 /nfs/dbraw/zinc/19/13/16/549191316.db2.gz AROAXUWFEJQGOE-PMACEKPBSA-N 1 3 356.514 2.041 10 0 FEAEHO c1ncn([C@@H]2CCCN(CCCCC[N@@H+]3CCC[C@@H](n4cncn4)C3)C2)n1 ZINC000246833745 549224847 /nfs/dbraw/zinc/22/48/47/549224847.db2.gz BZCAOEXHIJMGJT-RTBURBONSA-N 1 3 372.521 2.014 10 0 FEAEHO c1ncn([C@@H]2CCCN(CCCCC[N@H+]3CCC[C@@H](n4cncn4)C3)C2)n1 ZINC000246833745 549224851 /nfs/dbraw/zinc/22/48/51/549224851.db2.gz BZCAOEXHIJMGJT-RTBURBONSA-N 1 3 372.521 2.014 10 0 FEAEHO Cc1nccn1C[C@@H]1CCCN1CC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247175883 549294992 /nfs/dbraw/zinc/29/49/92/549294992.db2.gz VPXSMZCPZKNGEW-PMACEKPBSA-N 1 3 356.518 2.325 10 0 FEAEHO Cc1nccn1C[C@@H]1CCCN1CC[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247175883 549294994 /nfs/dbraw/zinc/29/49/94/549294994.db2.gz VPXSMZCPZKNGEW-PMACEKPBSA-N 1 3 356.518 2.325 10 0 FEAEHO NC(=O)[C@@H](NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000112549922 543451273 /nfs/dbraw/zinc/45/12/73/543451273.db2.gz POEQDBJYMWLKBZ-RTWAWAEBSA-N 1 3 367.493 2.248 10 0 FEAEHO CC(C)OC[C@H](O)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000123113597 543742785 /nfs/dbraw/zinc/74/27/85/543742785.db2.gz XLTOMJROYMAUHQ-RTWAWAEBSA-N 1 3 364.530 2.150 10 0 FEAEHO CC(C)OC[C@H](O)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000123113597 543742789 /nfs/dbraw/zinc/74/27/89/543742789.db2.gz XLTOMJROYMAUHQ-RTWAWAEBSA-N 1 3 364.530 2.150 10 0 FEAEHO CN(C)C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000128581262 544061158 /nfs/dbraw/zinc/06/11/58/544061158.db2.gz VXCNHHKSXGRZOL-IBGZPJMESA-N 1 3 359.514 2.441 10 0 FEAEHO CC(C)[N@H+]1C[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)[C@@H](C)C1 ZINC000132252362 544224252 /nfs/dbraw/zinc/22/42/52/544224252.db2.gz WVSKYKLZAFHYED-IRXDYDNUSA-N 1 3 368.591 2.376 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)[C@@H](C)C1 ZINC000132252362 544224255 /nfs/dbraw/zinc/22/42/55/544224255.db2.gz WVSKYKLZAFHYED-IRXDYDNUSA-N 1 3 368.591 2.376 10 0 FEAEHO CN(C)C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000152019608 544607403 /nfs/dbraw/zinc/60/74/03/544607403.db2.gz QLTCIFKSRMTKFT-XLIONFOSSA-N 1 3 374.529 2.089 10 0 FEAEHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C12CCOCC2 ZINC000186437407 327961862 /nfs/dbraw/zinc/96/18/62/327961862.db2.gz UJOJURBWQOQWBS-MSOLQXFVSA-N 1 3 363.502 2.086 10 0 FEAEHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)C1 ZINC000190499311 328211820 /nfs/dbraw/zinc/21/18/20/328211820.db2.gz FFISEDSZYNWODZ-VQTJNVASSA-N 1 3 373.545 2.277 10 0 FEAEHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)C1 ZINC000190499311 328211822 /nfs/dbraw/zinc/21/18/22/328211822.db2.gz FFISEDSZYNWODZ-VQTJNVASSA-N 1 3 373.545 2.277 10 0 FEAEHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000192785748 328339561 /nfs/dbraw/zinc/33/95/61/328339561.db2.gz ACQMMZYNMLWASL-KRWDZBQOSA-N 1 3 367.559 2.157 10 0 FEAEHO CN(C)C[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000117024632 326047918 /nfs/dbraw/zinc/04/79/18/326047918.db2.gz YNDNFBICLOYZLR-SFHVURJKSA-N 1 3 366.550 2.147 10 0 FEAEHO CC(C)N1CCC[C@H]([NH2+]CC2CCN(C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175010407 327367693 /nfs/dbraw/zinc/36/76/93/327367693.db2.gz FLQXQUVGDPKHSH-SFTDATJTSA-N 1 3 373.541 2.421 10 0 FEAEHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2(N)CCOCC2)C1 ZINC000261872967 328826093 /nfs/dbraw/zinc/82/60/93/328826093.db2.gz OHRAOAXSAAHWRM-IAGOWNOFSA-N 1 3 359.514 2.289 10 0 FEAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000176893750 546501808 /nfs/dbraw/zinc/50/18/08/546501808.db2.gz JUFJXMILTZXAQG-SFHVURJKSA-N 1 3 373.541 2.447 10 0 FEAEHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCN2CCC[C@@H]2C1)C1CC1 ZINC000186268441 548110196 /nfs/dbraw/zinc/11/01/96/548110196.db2.gz LNZOMRULBHLBTA-UXHICEINSA-N 1 3 356.514 2.387 10 0 FEAEHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCN2CCC[C@@H]2C1)C1CC1 ZINC000186268441 548110200 /nfs/dbraw/zinc/11/02/00/548110200.db2.gz LNZOMRULBHLBTA-UXHICEINSA-N 1 3 356.514 2.387 10 0 FEAEHO CC(C)N1CC[C@@H](N(C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000245468332 548930069 /nfs/dbraw/zinc/93/00/69/548930069.db2.gz KPGUYGSNACKWOT-NHCUHLMSSA-N 1 3 373.541 2.373 10 0 FEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000246441304 549133418 /nfs/dbraw/zinc/13/34/18/549133418.db2.gz UCXCYGHMAKHRMK-AQNXPRMDSA-N 1 3 358.530 2.428 10 0 FEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000246441304 549133420 /nfs/dbraw/zinc/13/34/20/549133420.db2.gz UCXCYGHMAKHRMK-AQNXPRMDSA-N 1 3 358.530 2.428 10 0 FEAEHO C[N@H+](CC[C@H]1CCOC1=O)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000246936158 549246170 /nfs/dbraw/zinc/24/61/70/549246170.db2.gz MXHDWQYTQGOOOW-VQTJNVASSA-N 1 3 360.498 2.317 10 0 FEAEHO C[N@@H+](CC[C@H]1CCOC1=O)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000246936158 549246171 /nfs/dbraw/zinc/24/61/71/549246171.db2.gz MXHDWQYTQGOOOW-VQTJNVASSA-N 1 3 360.498 2.317 10 0 FEAEHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000261956991 549773725 /nfs/dbraw/zinc/77/37/25/549773725.db2.gz PCQGQNZBAGNVKI-BDTNDASRSA-N 1 3 372.557 2.393 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000247475237 549340492 /nfs/dbraw/zinc/34/04/92/549340492.db2.gz SBEIBEUQCOZSOL-IRXDYDNUSA-N 1 3 366.575 2.226 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000247475237 549340495 /nfs/dbraw/zinc/34/04/95/549340495.db2.gz SBEIBEUQCOZSOL-IRXDYDNUSA-N 1 3 366.575 2.226 10 0 FEAEHO CCC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1)N(C)C ZINC000190516684 328213183 /nfs/dbraw/zinc/21/31/83/328213183.db2.gz MRPXCHBJBZLJTA-HOTGVXAUSA-N 1 3 352.548 2.462 10 0 FEAEHO CCC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1)N(C)C ZINC000190516684 328213185 /nfs/dbraw/zinc/21/31/85/328213185.db2.gz MRPXCHBJBZLJTA-HOTGVXAUSA-N 1 3 352.548 2.462 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091232627 325381927 /nfs/dbraw/zinc/38/19/27/325381927.db2.gz PPAHLGKPFOITAH-QFBILLFUSA-N 1 3 357.502 2.176 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091232627 325381928 /nfs/dbraw/zinc/38/19/28/325381928.db2.gz PPAHLGKPFOITAH-QFBILLFUSA-N 1 3 357.502 2.176 10 0 FEAEHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCO[C@H](CN(C)C)C1)c1ccccc1 ZINC000117050388 326049112 /nfs/dbraw/zinc/04/91/12/326049112.db2.gz QILYGTJSVQXUAZ-SJLPKXTDSA-N 1 3 362.518 2.088 10 0 FEAEHO CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000171351238 327134077 /nfs/dbraw/zinc/13/40/77/327134077.db2.gz PMBAWMYZCWNIPP-PMACEKPBSA-N 1 3 358.530 2.335 10 0 FEAEHO CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000171351238 327134078 /nfs/dbraw/zinc/13/40/78/327134078.db2.gz PMBAWMYZCWNIPP-PMACEKPBSA-N 1 3 358.530 2.335 10 0 FEAEHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171900715 327168567 /nfs/dbraw/zinc/16/85/67/327168567.db2.gz MMUHAIVPIVZTPK-LJQANCHMSA-N 1 3 374.529 2.397 10 0 FEAEHO O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905460 327169248 /nfs/dbraw/zinc/16/92/48/327169248.db2.gz WWGTVMPXYFBIFZ-QGZVFWFLSA-N 1 3 362.543 2.450 10 0 FEAEHO O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171905460 327169249 /nfs/dbraw/zinc/16/92/49/327169249.db2.gz WWGTVMPXYFBIFZ-QGZVFWFLSA-N 1 3 362.543 2.450 10 0 FEAEHO O=C(NCC1(N2CCSCC2)CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171978552 327174039 /nfs/dbraw/zinc/17/40/39/327174039.db2.gz ILQVQYVIFFVZQR-QGZVFWFLSA-N 1 3 366.575 2.228 10 0 FEAEHO O=C(NCC1(N2CCSCC2)CCCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171978552 327174040 /nfs/dbraw/zinc/17/40/40/327174040.db2.gz ILQVQYVIFFVZQR-QGZVFWFLSA-N 1 3 366.575 2.228 10 0 FEAEHO CC(C)N1CC[C@@H](N(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175191704 327378842 /nfs/dbraw/zinc/37/88/42/327378842.db2.gz KPGUYGSNACKWOT-RTWAWAEBSA-N 1 3 373.541 2.373 10 0 FEAEHO c1cc(C2CCN(CCOCC[NH+]3CCC(c4cc[nH]n4)CC3)CC2)n[nH]1 ZINC000178617160 546821339 /nfs/dbraw/zinc/82/13/39/546821339.db2.gz RSONEUYPOVQYNU-UHFFFAOYSA-N 1 3 372.517 2.208 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000246747737 549202366 /nfs/dbraw/zinc/20/23/66/549202366.db2.gz BFOVYWITFCFSCN-PZJWPPBQSA-N 1 3 372.557 2.434 10 0 FEAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000246747737 549202367 /nfs/dbraw/zinc/20/23/67/549202367.db2.gz BFOVYWITFCFSCN-PZJWPPBQSA-N 1 3 372.557 2.434 10 0 FEAEHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C12CCOCC2 ZINC000249054380 549543321 /nfs/dbraw/zinc/54/33/21/549543321.db2.gz XHSQQFZMKKDHAV-NJDAHSKKSA-N 1 3 374.525 2.317 10 0 FEAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000178853941 672395870 /nfs/dbraw/zinc/39/58/70/672395870.db2.gz OZGVRMHRYVPROW-BRWVUGGUSA-N 1 3 355.523 2.475 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000247497136 549345215 /nfs/dbraw/zinc/34/52/15/549345215.db2.gz USKDJCYMVAWSFZ-AEFFLSMTSA-N 1 3 360.502 2.005 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000247497136 549345216 /nfs/dbraw/zinc/34/52/16/549345216.db2.gz USKDJCYMVAWSFZ-AEFFLSMTSA-N 1 3 360.502 2.005 10 0 FEAEHO COC(=O)c1cc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)s1 ZINC000151063059 544500803 /nfs/dbraw/zinc/50/08/03/544500803.db2.gz KFRSHKSRQINTKJ-CYBMUJFWSA-N 1 3 354.516 2.368 10 0 FEAEHO CCC[C@@H](C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)N(C)C ZINC000179547148 327649218 /nfs/dbraw/zinc/64/92/18/327649218.db2.gz LTPHYRCFJHZQCN-FQEVSTJZSA-N 1 3 360.546 2.435 10 0 FEAEHO C[C@H](CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)C[NH+]1CCCC1 ZINC000190697414 328225517 /nfs/dbraw/zinc/22/55/17/328225517.db2.gz BDMXDHGISWEFKP-UYAOXDASSA-N 1 3 373.545 2.277 10 0 FEAEHO CCCCNC(=O)[C@@H](C)[NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000112550003 325790282 /nfs/dbraw/zinc/79/02/82/325790282.db2.gz UCCVCMVKCAWRCC-YLJYHZDGSA-N 1 3 361.530 2.326 10 0 FEAEHO Cc1ccc(N2CC[C@H](N(C)CC3CC[NH+](C[C@@H](C)O)CC3)C2=O)cc1 ZINC000119184409 326135482 /nfs/dbraw/zinc/13/54/82/326135482.db2.gz OJKKRFNSBNXRRS-XLIONFOSSA-N 1 3 359.514 2.125 10 0 FEAEHO CCC[C@H](C(=O)NCCCN1CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000161530418 327002055 /nfs/dbraw/zinc/00/20/55/327002055.db2.gz ARFLLSWNBIPLSK-HXUWFJFHSA-N 1 3 360.546 2.041 10 0 FEAEHO COC(=O)c1cc(F)ccc1CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000170941664 327108426 /nfs/dbraw/zinc/10/84/26/327108426.db2.gz ZGPMWQGIUJRNIC-CQSZACIVSA-N 1 3 352.450 2.137 10 0 FEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000176228878 546421722 /nfs/dbraw/zinc/42/17/22/546421722.db2.gz AXFZIXKRMABBQS-QGZVFWFLSA-N 1 3 368.591 2.474 10 0 FEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000176228878 546421725 /nfs/dbraw/zinc/42/17/25/546421725.db2.gz AXFZIXKRMABBQS-QGZVFWFLSA-N 1 3 368.591 2.474 10 0 FEAEHO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000192344567 548362654 /nfs/dbraw/zinc/36/26/54/548362654.db2.gz DMBRDHLZQQQMJE-WOJBJXKFSA-N 1 3 374.529 2.061 10 0 FEAEHO CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000192344567 548362658 /nfs/dbraw/zinc/36/26/58/548362658.db2.gz DMBRDHLZQQQMJE-WOJBJXKFSA-N 1 3 374.529 2.061 10 0 FEAEHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246395498 549124575 /nfs/dbraw/zinc/12/45/75/549124575.db2.gz KZRVHIUUIMCLNZ-APWZRJJASA-N 1 3 374.529 2.312 10 0 FEAEHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1 ZINC000248751579 549495865 /nfs/dbraw/zinc/49/58/65/549495865.db2.gz KLURGIBCIBVVNS-VQIMIIECSA-N 1 3 372.513 2.162 10 0 FEAEHO COc1cccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)N2CCCC2)c1 ZINC000249735160 549621277 /nfs/dbraw/zinc/62/12/77/549621277.db2.gz DHEYMEQWKYMDTJ-IEBWSBKVSA-N 1 3 360.502 2.226 10 0 FEAEHO COc1cccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)N2CCCC2)c1 ZINC000249735160 549621280 /nfs/dbraw/zinc/62/12/80/549621280.db2.gz DHEYMEQWKYMDTJ-IEBWSBKVSA-N 1 3 360.502 2.226 10 0 FEAEHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000252032644 549661761 /nfs/dbraw/zinc/66/17/61/549661761.db2.gz ZVGAEGZFXSYVKV-XUVXKRRUSA-N 1 3 373.545 2.418 10 0 FEAEHO [NH3+]C[C@@H]1CN(CCC(=O)NC(=O)Nc2ccccc2)C[C@H]1c1ccccc1 ZINC000261864731 549763026 /nfs/dbraw/zinc/76/30/26/549763026.db2.gz WRTYEZSLYYANTE-MJGOQNOKSA-N 1 3 366.465 2.399 10 0 FEAEHO CC(C)c1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc(N2CCN3CCC[C@H]3C2)n1 ZINC000302766498 553731755 /nfs/dbraw/zinc/73/17/55/553731755.db2.gz LSXARSCEXQZMQC-MSOLQXFVSA-N 1 3 370.545 2.169 10 0 FEAEHO CC(C)c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc(N2CCN3CCC[C@H]3C2)n1 ZINC000302766498 553731753 /nfs/dbraw/zinc/73/17/53/553731753.db2.gz LSXARSCEXQZMQC-MSOLQXFVSA-N 1 3 370.545 2.169 10 0 FEAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000178853914 672395856 /nfs/dbraw/zinc/39/58/56/672395856.db2.gz OZGVRMHRYVPROW-IXDOHACOSA-N 1 3 355.523 2.475 10 0 FEAEHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1C[NH2+]CCC1(F)F ZINC000649305140 677329036 /nfs/dbraw/zinc/32/90/36/677329036.db2.gz GPSUODOOHCYZRM-DLBZAZTESA-N 1 3 351.441 2.402 10 0 FEAEHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653120731 677516732 /nfs/dbraw/zinc/51/67/32/677516732.db2.gz YQJWEPFWAMFKGE-BZUAXINKSA-N 1 3 355.404 2.165 10 0 FEAEHO C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CN1Cc1ccccc1 ZINC000653122370 677516761 /nfs/dbraw/zinc/51/67/61/677516761.db2.gz VDCQNENXEWYNNZ-ARLBYUKCSA-N 1 3 355.404 2.164 10 0 FEAEHO COc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)N2CCCC2)cc1 ZINC000171896330 327167980 /nfs/dbraw/zinc/16/79/80/327167980.db2.gz VAPFZODQEBEKDY-UYAOXDASSA-N 1 3 372.513 2.322 10 0 FEAEHO COc1ccc([C@@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)N2CCCC2)cc1 ZINC000171896330 327167981 /nfs/dbraw/zinc/16/79/81/327167981.db2.gz VAPFZODQEBEKDY-UYAOXDASSA-N 1 3 372.513 2.322 10 0 FEAEHO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](CN(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175645942 546327378 /nfs/dbraw/zinc/32/73/78/546327378.db2.gz OFKYVPOCTDVADY-YZGWKJHDSA-N 1 3 374.529 2.012 10 0 FEAEHO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](CN(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000175645942 546327380 /nfs/dbraw/zinc/32/73/80/546327380.db2.gz OFKYVPOCTDVADY-YZGWKJHDSA-N 1 3 374.529 2.012 10 0 FEAEHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2CCC[C@@H]2C1)C1CC1 ZINC000186268464 548109634 /nfs/dbraw/zinc/10/96/34/548109634.db2.gz LNZOMRULBHLBTA-WOJBJXKFSA-N 1 3 356.514 2.387 10 0 FEAEHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2CCC[C@@H]2C1)C1CC1 ZINC000186268464 548109638 /nfs/dbraw/zinc/10/96/38/548109638.db2.gz LNZOMRULBHLBTA-WOJBJXKFSA-N 1 3 356.514 2.387 10 0 FEAEHO C[N@H+](CC[C@@H]1CCOC1=O)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000246936180 549245271 /nfs/dbraw/zinc/24/52/71/549245271.db2.gz MXHDWQYTQGOOOW-WOJBJXKFSA-N 1 3 360.498 2.317 10 0 FEAEHO C[N@@H+](CC[C@@H]1CCOC1=O)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000246936180 549245274 /nfs/dbraw/zinc/24/52/74/549245274.db2.gz MXHDWQYTQGOOOW-WOJBJXKFSA-N 1 3 360.498 2.317 10 0 FEAEHO Cc1ccc(CNC(=O)[C@H](C)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000247581055 549362417 /nfs/dbraw/zinc/36/24/17/549362417.db2.gz ILDVCOIPRHEGJR-ROUUACIJSA-N 1 3 361.530 2.024 10 0 FEAEHO N[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000261780696 549755084 /nfs/dbraw/zinc/75/50/84/549755084.db2.gz MZFLDTVIXRDPKX-UNMCSNQZSA-N 1 3 371.525 2.255 10 0 FEAEHO N[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000261780696 549755085 /nfs/dbraw/zinc/75/50/85/549755085.db2.gz MZFLDTVIXRDPKX-UNMCSNQZSA-N 1 3 371.525 2.255 10 0 FEAEHO CCc1nccn1[C@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114456718 543517172 /nfs/dbraw/zinc/51/71/72/543517172.db2.gz ZTORERDGHSCRMG-SFHVURJKSA-N 1 3 361.534 2.071 10 0 FEAEHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000189462921 328149783 /nfs/dbraw/zinc/14/97/83/328149783.db2.gz BHFCTTYKOMLJNP-LJQANCHMSA-N 1 3 374.529 2.410 10 0 FEAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cc(F)cc3c2OCOC3)CC1 ZINC000170941899 327108919 /nfs/dbraw/zinc/10/89/19/327108919.db2.gz CUBWNRGBWJQPPA-AWEZNQCLSA-N 1 3 352.450 2.217 10 0 FEAEHO CC(C)N(C)C(=O)[C@H](C)[NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175191311 327378960 /nfs/dbraw/zinc/37/89/60/327378960.db2.gz BIQWNHPVQVBNCT-PXNSSMCTSA-N 1 3 361.530 2.277 10 0 FEAEHO CC(C)N(C)CC(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177455606 546623301 /nfs/dbraw/zinc/62/33/01/546623301.db2.gz WAKJQDMFMHYZRX-FQEVSTJZSA-N 1 3 361.530 2.231 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000246747688 549203365 /nfs/dbraw/zinc/20/33/65/549203365.db2.gz BFLMGVANRJQHOT-VQIMIIECSA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000246747688 549203370 /nfs/dbraw/zinc/20/33/70/549203370.db2.gz BFLMGVANRJQHOT-VQIMIIECSA-N 1 3 362.518 2.155 10 0 FEAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000247805800 549382131 /nfs/dbraw/zinc/38/21/31/549382131.db2.gz SPTVJESGLKNMGR-VIHIWDAPSA-N 1 3 353.551 2.094 10 0 FEAEHO c1nc2n(n1)C[C@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000248411167 549431341 /nfs/dbraw/zinc/43/13/41/549431341.db2.gz YYIZJBVCOGJZGD-YRPNKDGESA-N 1 3 351.498 2.483 10 0 FEAEHO CC(C)c1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc(N2CCN3CCC[C@@H]3C2)n1 ZINC000302766504 553731472 /nfs/dbraw/zinc/73/14/72/553731472.db2.gz LSXARSCEXQZMQC-ZWKOTPCHSA-N 1 3 370.545 2.169 10 0 FEAEHO CC(C)c1cc(N2CC[N@H+]3CCC[C@H]3C2)nc(N2CCN3CCC[C@@H]3C2)n1 ZINC000302766504 553731474 /nfs/dbraw/zinc/73/14/74/553731474.db2.gz LSXARSCEXQZMQC-ZWKOTPCHSA-N 1 3 370.545 2.169 10 0 FEAEHO C[C@@H]1CCCC[N@@H+]1CCN(C)c1nc(-c2cccnc2)nc2c1CCNC2 ZINC000071750810 541770234 /nfs/dbraw/zinc/77/02/34/541770234.db2.gz AIPWTHVPTCEWKW-MRXNPFEDSA-N 1 3 366.513 2.495 10 0 FEAEHO C[C@@H]1CCCC[N@H+]1CCN(C)c1nc(-c2cccnc2)nc2c1CCNC2 ZINC000071750810 541770237 /nfs/dbraw/zinc/77/02/37/541770237.db2.gz AIPWTHVPTCEWKW-MRXNPFEDSA-N 1 3 366.513 2.495 10 0 FEAEHO CCCCNC(=O)[C@@H](C)[NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000112549999 543451568 /nfs/dbraw/zinc/45/15/68/543451568.db2.gz UCCVCMVKCAWRCC-XLIONFOSSA-N 1 3 361.530 2.326 10 0 FEAEHO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000191486058 328267971 /nfs/dbraw/zinc/26/79/71/328267971.db2.gz ATITZFCATDYUTG-FQEVSTJZSA-N 1 3 362.566 2.023 10 0 FEAEHO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000191486058 328267973 /nfs/dbraw/zinc/26/79/73/328267973.db2.gz ATITZFCATDYUTG-FQEVSTJZSA-N 1 3 362.566 2.023 10 0 FEAEHO CCN(CC)[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccsc1 ZINC000117031410 326048426 /nfs/dbraw/zinc/04/84/26/326048426.db2.gz LLEZZVMIWSWRFR-SJORKVTESA-N 1 3 368.547 2.103 10 0 FEAEHO CC(C)[C@@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000119875656 326207930 /nfs/dbraw/zinc/20/79/30/326207930.db2.gz FFDVRMSVKGVZIE-SFTDATJTSA-N 1 3 373.541 2.032 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cc(F)cc3c2OCOC3)CC1 ZINC000170941900 327109086 /nfs/dbraw/zinc/10/90/86/327109086.db2.gz CUBWNRGBWJQPPA-CQSZACIVSA-N 1 3 352.450 2.217 10 0 FEAEHO CC(C)N1CCC[C@H]([NH2+]CC2CCN(C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000175010442 327367717 /nfs/dbraw/zinc/36/77/17/327367717.db2.gz FLQXQUVGDPKHSH-LEWJYISDSA-N 1 3 373.541 2.421 10 0 FEAEHO CC[NH+](CC)[C@H](CNC(=O)N1CCN2CCC[C@@H]2C1)Cc1ccccc1 ZINC000171900860 546229656 /nfs/dbraw/zinc/22/96/56/546229656.db2.gz WFNALJAOUIGCMH-UXHICEINSA-N 1 3 358.530 2.429 10 0 FEAEHO O=C(NCCCOC1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000178848355 546861630 /nfs/dbraw/zinc/86/16/30/546861630.db2.gz ZALSSYQHIDINRP-IBGZPJMESA-N 1 3 359.514 2.174 10 0 FEAEHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246260725 549091304 /nfs/dbraw/zinc/09/13/04/549091304.db2.gz GHCQZLKJPBQZHP-XWTMOSNGSA-N 1 3 353.551 2.189 10 0 FEAEHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000247530689 672851497 /nfs/dbraw/zinc/85/14/97/672851497.db2.gz OZGVRMHRYVPROW-ZACQAIPSSA-N 1 3 355.523 2.475 10 0 FEAEHO CCC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1)N(C)C ZINC000190516646 328213082 /nfs/dbraw/zinc/21/30/82/328213082.db2.gz MRPXCHBJBZLJTA-CVEARBPZSA-N 1 3 352.548 2.462 10 0 FEAEHO CCC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1)N(C)C ZINC000190516646 328213083 /nfs/dbraw/zinc/21/30/83/328213083.db2.gz MRPXCHBJBZLJTA-CVEARBPZSA-N 1 3 352.548 2.462 10 0 FEAEHO CN(C)C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000117028078 326047818 /nfs/dbraw/zinc/04/78/18/326047818.db2.gz SEQCIJNRNRLDBK-FQEVSTJZSA-N 1 3 374.529 2.145 10 0 FEAEHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCN2CCC[C@@H]2C1 ZINC000171904694 327169221 /nfs/dbraw/zinc/16/92/21/327169221.db2.gz YHHVWDOEIMFWAJ-HXUWFJFHSA-N 1 3 356.514 2.388 10 0 FEAEHO C[NH+](C)CCCOc1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000171907193 327169682 /nfs/dbraw/zinc/16/96/82/327169682.db2.gz CSTQROODYRNQEN-SFHVURJKSA-N 1 3 360.502 2.007 10 0 FEAEHO CC1CCN([C@H](CNC(=O)C2([NH3+])CCOCC2)c2cccs2)CC1 ZINC000261863762 328825132 /nfs/dbraw/zinc/82/51/32/328825132.db2.gz NIMAETUFWARYQN-OAHLLOKOSA-N 1 3 351.516 2.145 10 0 FEAEHO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)[C@@H](C)C1 ZINC000157826512 545789221 /nfs/dbraw/zinc/78/92/21/545789221.db2.gz BFLMGVANRJQHOT-LPHOPBHVSA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)[C@@H](C)C1 ZINC000157826512 545789225 /nfs/dbraw/zinc/78/92/25/545789225.db2.gz BFLMGVANRJQHOT-LPHOPBHVSA-N 1 3 362.518 2.155 10 0 FEAEHO c1ncn([C@@H]2CCCN(CCCCC[N@@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157908622 545798661 /nfs/dbraw/zinc/79/86/61/545798661.db2.gz BZCAOEXHIJMGJT-KDURUIRLSA-N 1 3 372.521 2.014 10 0 FEAEHO c1ncn([C@@H]2CCCN(CCCCC[N@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157908622 545798665 /nfs/dbraw/zinc/79/86/65/545798665.db2.gz BZCAOEXHIJMGJT-KDURUIRLSA-N 1 3 372.521 2.014 10 0 FEAEHO c1ncn([C@@H]2CCC[N@@H+](CCCCCN3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157908622 545798668 /nfs/dbraw/zinc/79/86/68/545798668.db2.gz BZCAOEXHIJMGJT-KDURUIRLSA-N 1 3 372.521 2.014 10 0 FEAEHO c1ncn([C@@H]2CCC[N@H+](CCCCCN3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157908622 545798672 /nfs/dbraw/zinc/79/86/72/545798672.db2.gz BZCAOEXHIJMGJT-KDURUIRLSA-N 1 3 372.521 2.014 10 0 FEAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000249234020 549572156 /nfs/dbraw/zinc/57/21/56/549572156.db2.gz VVGVKCJORJAGJN-ROUUACIJSA-N 1 3 372.513 2.080 10 0 FEAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000249234020 549572158 /nfs/dbraw/zinc/57/21/58/549572158.db2.gz VVGVKCJORJAGJN-ROUUACIJSA-N 1 3 372.513 2.080 10 0 FEAEHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000261661008 549740850 /nfs/dbraw/zinc/74/08/50/549740850.db2.gz GVHYLXKXSBMVAH-AEFFLSMTSA-N 1 3 367.449 2.418 10 0 FEAEHO C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@@H]3[C@H]3COCCN3)nc2)CC1 ZINC000262036068 549781957 /nfs/dbraw/zinc/78/19/57/549781957.db2.gz XYGYJKCPXOZPIO-XUVXKRRUSA-N 1 3 373.545 2.181 10 0 FEAEHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649305146 677329049 /nfs/dbraw/zinc/32/90/49/677329049.db2.gz GPSUODOOHCYZRM-IRXDYDNUSA-N 1 3 351.441 2.402 10 0 FEAEHO COc1cc(C[NH2+]CCCSC)ccc1OC[C@@H](O)CN1CCCC1 ZINC000012576313 539565699 /nfs/dbraw/zinc/56/56/99/539565699.db2.gz COBNBZQNQRGJHZ-KRWDZBQOSA-N 1 3 368.543 2.373 10 0 FEAEHO CC(C)C[C@@]1(CO)[NH2+][C@H](c2cc(CN(C)C)cs2)[C@@H]2CN(C)C[C@@H]21 ZINC000065374828 205341066 /nfs/dbraw/zinc/34/10/66/205341066.db2.gz GIWHVKVZVDPOTM-NEPXVJNWSA-N 1 3 351.560 2.409 10 0 FEAEHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000111881062 543422716 /nfs/dbraw/zinc/42/27/16/543422716.db2.gz NXESBYXTYDLUAO-ROUUACIJSA-N 1 3 368.566 2.033 10 0 FEAEHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000111881062 543422720 /nfs/dbraw/zinc/42/27/20/543422720.db2.gz NXESBYXTYDLUAO-ROUUACIJSA-N 1 3 368.566 2.033 10 0 FEAEHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000190706984 328226367 /nfs/dbraw/zinc/22/63/67/328226367.db2.gz QDXJNXULBYJDOY-FQEVSTJZSA-N 1 3 373.545 2.277 10 0 FEAEHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccccc1 ZINC000117050394 326048818 /nfs/dbraw/zinc/04/88/18/326048818.db2.gz QILYGTJSVQXUAZ-AEFFLSMTSA-N 1 3 362.518 2.088 10 0 FEAEHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(OC)c1 ZINC000170827392 327101052 /nfs/dbraw/zinc/10/10/52/327101052.db2.gz KYVWIGOAJNBCOD-MJGOQNOKSA-N 1 3 362.518 2.424 10 0 FEAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000173755023 327281567 /nfs/dbraw/zinc/28/15/67/327281567.db2.gz DOHPLVYFJRZRCH-RBUKOAKNSA-N 1 3 374.529 2.395 10 0 FEAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000173755023 327281569 /nfs/dbraw/zinc/28/15/69/327281569.db2.gz DOHPLVYFJRZRCH-RBUKOAKNSA-N 1 3 374.529 2.395 10 0 FEAEHO OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@@H]3[C@@H]3COCCN3)c2)CC1 ZINC000261874597 328826088 /nfs/dbraw/zinc/82/60/88/328826088.db2.gz DPEFXSZBYABXLA-BDTNDASRSA-N 1 3 373.541 2.460 10 0 FEAEHO CC(C)[N@H+]1C[C@H](NC(=O)NCC2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000180361820 547091381 /nfs/dbraw/zinc/09/13/81/547091381.db2.gz PSJVUGFAZXPKGO-LPHOPBHVSA-N 1 3 359.518 2.326 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](NC(=O)NCC2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000180361820 547091385 /nfs/dbraw/zinc/09/13/85/547091385.db2.gz PSJVUGFAZXPKGO-LPHOPBHVSA-N 1 3 359.518 2.326 10 0 FEAEHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)cc2)C1 ZINC000246036820 549040174 /nfs/dbraw/zinc/04/01/74/549040174.db2.gz WJJHPJHLMUAXSN-QFBILLFUSA-N 1 3 372.513 2.020 10 0 FEAEHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)cc2)C1 ZINC000246036820 549040178 /nfs/dbraw/zinc/04/01/78/549040178.db2.gz WJJHPJHLMUAXSN-QFBILLFUSA-N 1 3 372.513 2.020 10 0 FEAEHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3(N)CCOCC3)cc2)C1 ZINC000261777746 549754135 /nfs/dbraw/zinc/75/41/35/549754135.db2.gz HEHRDQOOIIYFAT-CALCHBBNSA-N 1 3 359.514 2.289 10 0 FEAEHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C3(N)CCOCC3)cc2)C1 ZINC000261777746 549754138 /nfs/dbraw/zinc/75/41/38/549754138.db2.gz HEHRDQOOIIYFAT-CALCHBBNSA-N 1 3 359.514 2.289 10 0 FEAEHO CN1CCNC[C@H]1c1noc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000263228047 549887434 /nfs/dbraw/zinc/88/74/34/549887434.db2.gz NAOLIWSPUJQPLH-WBVHZDCISA-N 1 3 359.449 2.164 10 0 FEAEHO CN1CC[NH2+]C[C@H]1c1noc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000263228047 549887437 /nfs/dbraw/zinc/88/74/37/549887437.db2.gz NAOLIWSPUJQPLH-WBVHZDCISA-N 1 3 359.449 2.164 10 0 FEAEHO CC(C)CNC(=O)CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128140 543205739 /nfs/dbraw/zinc/20/57/39/543205739.db2.gz AWMZNULSBPEYQM-HXUWFJFHSA-N 1 3 361.530 2.136 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000113596184 543492102 /nfs/dbraw/zinc/49/21/02/543492102.db2.gz SBEIBEUQCOZSOL-IAGOWNOFSA-N 1 3 366.575 2.226 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000113596184 543492104 /nfs/dbraw/zinc/49/21/04/543492104.db2.gz SBEIBEUQCOZSOL-IAGOWNOFSA-N 1 3 366.575 2.226 10 0 FEAEHO Cc1cccc(NC[C@H]2CCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000114456153 543516964 /nfs/dbraw/zinc/51/69/64/543516964.db2.gz TVNUWYQPKFXBEF-GOSISDBHSA-N 1 3 373.545 2.113 10 0 FEAEHO C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000170835479 327101233 /nfs/dbraw/zinc/10/12/33/327101233.db2.gz JWALMVLFCJXSJJ-HOTGVXAUSA-N 1 3 350.532 2.306 10 0 FEAEHO COc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000170862279 327103213 /nfs/dbraw/zinc/10/32/13/327103213.db2.gz MAVINDGWSHYQFR-MJGOQNOKSA-N 1 3 360.502 2.178 10 0 FEAEHO CC(C)(CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000171901780 327168747 /nfs/dbraw/zinc/16/87/47/327168747.db2.gz PBYCSCDNSHBXAG-LJQANCHMSA-N 1 3 356.514 2.313 10 0 FEAEHO CC(C)(CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000171901780 327168749 /nfs/dbraw/zinc/16/87/49/327168749.db2.gz PBYCSCDNSHBXAG-LJQANCHMSA-N 1 3 356.514 2.313 10 0 FEAEHO C[C@@H](C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)[NH+]1CCCCCC1 ZINC000173577222 327268074 /nfs/dbraw/zinc/26/80/74/327268074.db2.gz PBHVSURZQDXGNU-SFHVURJKSA-N 1 3 373.545 2.056 10 0 FEAEHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000262941425 328902039 /nfs/dbraw/zinc/90/20/39/328902039.db2.gz IVWJWPXXROQQSI-URVUXULASA-N 1 3 373.541 2.456 10 0 FEAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000245662357 548969442 /nfs/dbraw/zinc/96/94/42/548969442.db2.gz DIKPMJMGJDIJSD-OALUTQOASA-N 1 3 374.529 2.395 10 0 FEAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000245662357 548969445 /nfs/dbraw/zinc/96/94/45/548969445.db2.gz DIKPMJMGJDIJSD-OALUTQOASA-N 1 3 374.529 2.395 10 0 FEAEHO CCN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000246151833 549064216 /nfs/dbraw/zinc/06/42/16/549064216.db2.gz PMBAWMYZCWNIPP-WOJBJXKFSA-N 1 3 358.530 2.335 10 0 FEAEHO CCN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000246151833 549064220 /nfs/dbraw/zinc/06/42/20/549064220.db2.gz PMBAWMYZCWNIPP-WOJBJXKFSA-N 1 3 358.530 2.335 10 0 FEAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000246260698 549091473 /nfs/dbraw/zinc/09/14/73/549091473.db2.gz GHCQZLKJPBQZHP-MHORFTMASA-N 1 3 353.551 2.189 10 0 FEAEHO C[C@H](C(=O)N(C)C1CCCCC1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246332151 549107610 /nfs/dbraw/zinc/10/76/10/549107610.db2.gz LDXIUOWRJIYHNX-DLBZAZTESA-N 1 3 353.551 2.191 10 0 FEAEHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000252032642 549662171 /nfs/dbraw/zinc/66/21/71/549662171.db2.gz ZVGAEGZFXSYVKV-SLFFLAALSA-N 1 3 373.545 2.418 10 0 FEAEHO C[NH+](C)CCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000249376603 672870121 /nfs/dbraw/zinc/87/01/21/672870121.db2.gz UEEVHQPQJYVKHW-HZPDHXFCSA-N 1 3 357.420 2.365 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000247388293 549326521 /nfs/dbraw/zinc/32/65/21/549326521.db2.gz QFDODSOSQMXESP-FUHWJXTLSA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000247388293 549326525 /nfs/dbraw/zinc/32/65/25/549326525.db2.gz QFDODSOSQMXESP-FUHWJXTLSA-N 1 3 362.518 2.155 10 0 FEAEHO CN(CC(=O)NC1CCCC1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128078 543204292 /nfs/dbraw/zinc/20/42/92/543204292.db2.gz UMFLNXLIXCAOMS-OAQYLSRUSA-N 1 3 373.541 2.423 10 0 FEAEHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106126555 543204505 /nfs/dbraw/zinc/20/45/05/543204505.db2.gz GUSGBMIIHABZFG-ZHALLVOQSA-N 1 3 353.551 2.191 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000113589127 543491711 /nfs/dbraw/zinc/49/17/11/543491711.db2.gz USKDJCYMVAWSFZ-FUHWJXTLSA-N 1 3 360.502 2.005 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000113589127 543491713 /nfs/dbraw/zinc/49/17/13/543491713.db2.gz USKDJCYMVAWSFZ-FUHWJXTLSA-N 1 3 360.502 2.005 10 0 FEAEHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117028054 326047883 /nfs/dbraw/zinc/04/78/83/326047883.db2.gz PXZFTJWNERGBCX-IBGZPJMESA-N 1 3 362.518 2.000 10 0 FEAEHO COCCC[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccccc2)CC1 ZINC000171193073 327123508 /nfs/dbraw/zinc/12/35/08/327123508.db2.gz AWGSYHOXFGZEIC-IBGZPJMESA-N 1 3 362.518 2.089 10 0 FEAEHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@@H]([NH3+])C(C)(C)C3)CC2)c1 ZINC000261819062 328821807 /nfs/dbraw/zinc/82/18/07/328821807.db2.gz HTFNDNAHDKEJFM-LJQANCHMSA-N 1 3 358.530 2.093 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000176867183 546498392 /nfs/dbraw/zinc/49/83/92/546498392.db2.gz OSNTYGIVRIVLAD-WIYYLYMNSA-N 1 3 373.541 2.202 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)cc2)CC1 ZINC000247259937 549308952 /nfs/dbraw/zinc/30/89/52/549308952.db2.gz ZTUKICSSBPCZIX-XLIONFOSSA-N 1 3 356.514 2.137 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)cc2)CC1 ZINC000247259937 549308955 /nfs/dbraw/zinc/30/89/55/549308955.db2.gz ZTUKICSSBPCZIX-XLIONFOSSA-N 1 3 356.514 2.137 10 0 FEAEHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN2CCC[C@H]2C1)Cc1ccccc1 ZINC000247649675 549368678 /nfs/dbraw/zinc/36/86/78/549368678.db2.gz WFNALJAOUIGCMH-VQTJNVASSA-N 1 3 358.530 2.429 10 0 FEAEHO C[C@H](C(=O)NCC1CCCCC1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247767922 549378048 /nfs/dbraw/zinc/37/80/48/549378048.db2.gz OIKZUCHGFHPRKG-DLBZAZTESA-N 1 3 353.551 2.096 10 0 FEAEHO N[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CCOCC1 ZINC000261745464 549750513 /nfs/dbraw/zinc/75/05/13/549750513.db2.gz DPKPAJCMXQHVPC-FQEVSTJZSA-N 1 3 359.514 2.433 10 0 FEAEHO OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@H]3[C@H]3COCCN3)c2)CC1 ZINC000261874600 549765248 /nfs/dbraw/zinc/76/52/48/549765248.db2.gz DPEFXSZBYABXLA-YPAWHYETSA-N 1 3 373.541 2.460 10 0 FEAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)C2)cc1 ZINC000261992569 549777820 /nfs/dbraw/zinc/77/78/20/549777820.db2.gz SXIFOMMUWZALCP-CIAFKFPVSA-N 1 3 357.542 2.298 10 0 FEAEHO O=C(C[C@@H]1CSCCN1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328625108 553797811 /nfs/dbraw/zinc/79/78/11/553797811.db2.gz CSZOERSHWLLDGQ-CVEARBPZSA-N 1 3 365.568 2.314 10 0 FEAEHO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000385663292 558606835 /nfs/dbraw/zinc/60/68/35/558606835.db2.gz LBVISKMCDNULIU-LWYYNNOASA-N 1 3 360.498 2.191 10 0 FEAEHO Cc1c([O-])ccc2c(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc(=O)oc12 ZINC000106126071 543204389 /nfs/dbraw/zinc/20/43/89/543204389.db2.gz ANJVNQCXJMJBCC-CQSZACIVSA-N 1 3 374.481 2.332 10 0 FEAEHO Cc1c([O-])ccc2c(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc(=O)oc12 ZINC000106126071 543204392 /nfs/dbraw/zinc/20/43/92/543204392.db2.gz ANJVNQCXJMJBCC-CQSZACIVSA-N 1 3 374.481 2.332 10 0 FEAEHO CC[NH+](CC)[C@@H](C)CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000077793591 325016838 /nfs/dbraw/zinc/01/68/38/325016838.db2.gz VSKWQVYMBGIABA-INIZCTEOSA-N 1 3 356.580 2.378 10 0 FEAEHO C[NH+](C)CCCOc1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171907192 327169767 /nfs/dbraw/zinc/16/97/67/327169767.db2.gz CSTQROODYRNQEN-GOSISDBHSA-N 1 3 360.502 2.007 10 0 FEAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000174438959 327327054 /nfs/dbraw/zinc/32/70/54/327327054.db2.gz DIKPMJMGJDIJSD-RBUKOAKNSA-N 1 3 374.529 2.395 10 0 FEAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000174438959 327327055 /nfs/dbraw/zinc/32/70/55/327327055.db2.gz DIKPMJMGJDIJSD-RBUKOAKNSA-N 1 3 374.529 2.395 10 0 FEAEHO CC(C)N1CC[C@H]([NH2+]CC2CCN(C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000175191167 327378880 /nfs/dbraw/zinc/37/88/80/327378880.db2.gz LACLQPUMZCSRHC-VQTJNVASSA-N 1 3 359.514 2.031 10 0 FEAEHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H](N)C2CCOCC2)CC1 ZINC000261888844 328827163 /nfs/dbraw/zinc/82/71/63/328827163.db2.gz VGDCMRXVTSCLAS-HXUWFJFHSA-N 1 3 359.514 2.289 10 0 FEAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000176867133 546498541 /nfs/dbraw/zinc/49/85/41/546498541.db2.gz OSNTYGIVRIVLAD-RXVVDRJESA-N 1 3 373.541 2.202 10 0 FEAEHO CCc1oc(C(=O)OC)cc1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000177133406 546551948 /nfs/dbraw/zinc/55/19/48/546551948.db2.gz NWVACGXZWPPOAP-AWEZNQCLSA-N 1 3 352.475 2.153 10 0 FEAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179423141 546951249 /nfs/dbraw/zinc/95/12/49/546951249.db2.gz SCDVMKKHIJNCED-SFHVURJKSA-N 1 3 356.514 2.456 10 0 FEAEHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000183090183 547600105 /nfs/dbraw/zinc/60/01/05/547600105.db2.gz WAVGIFGLJCSKGV-QUCCMNQESA-N 1 3 359.514 2.186 10 0 FEAEHO COCC[NH+]1CCC(CN(Cc2ccc(CO)o2)C[C@H]2CCCO2)CC1 ZINC000012385173 539557192 /nfs/dbraw/zinc/55/71/92/539557192.db2.gz SVIZARXCZVKTBI-GOSISDBHSA-N 1 3 366.502 2.111 10 0 FEAEHO CCN(CC)C(=O)[C@@H](C)[NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000112550020 543451231 /nfs/dbraw/zinc/45/12/31/543451231.db2.gz AQWHIPFPBQEPQZ-XLIONFOSSA-N 1 3 361.530 2.279 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000113591858 543491932 /nfs/dbraw/zinc/49/19/32/543491932.db2.gz LCXRCEDBRDFZHD-FXAWDEMLSA-N 1 3 356.514 2.313 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000113591858 543491934 /nfs/dbraw/zinc/49/19/34/543491934.db2.gz LCXRCEDBRDFZHD-FXAWDEMLSA-N 1 3 356.514 2.313 10 0 FEAEHO CCOC(=O)C1CCC(O)(CN2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000190905648 328239569 /nfs/dbraw/zinc/23/95/69/328239569.db2.gz ARMVYQBLDNZSIE-QPIRBTGLSA-N 1 3 352.519 2.421 10 0 FEAEHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170829353 327100914 /nfs/dbraw/zinc/10/09/14/327100914.db2.gz JNNJBNAIWCYXOX-GOSISDBHSA-N 1 3 362.518 2.253 10 0 FEAEHO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000170835477 327101199 /nfs/dbraw/zinc/10/11/99/327101199.db2.gz JWALMVLFCJXSJJ-JKSUJKDBSA-N 1 3 350.532 2.306 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000171843598 327164969 /nfs/dbraw/zinc/16/49/69/327164969.db2.gz GJVYMJRVRXFDKF-MRXNPFEDSA-N 1 3 362.518 2.305 10 0 FEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000174203019 327312711 /nfs/dbraw/zinc/31/27/11/327312711.db2.gz UCXCYGHMAKHRMK-XUVXKRRUSA-N 1 3 358.530 2.428 10 0 FEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000174203019 327312712 /nfs/dbraw/zinc/31/27/12/327312712.db2.gz UCXCYGHMAKHRMK-XUVXKRRUSA-N 1 3 358.530 2.428 10 0 FEAEHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262398415 328863291 /nfs/dbraw/zinc/86/32/91/328863291.db2.gz PFTAGAYNKBZZBE-LAUBAEHRSA-N 1 3 357.498 2.362 10 0 FEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176627753 546469743 /nfs/dbraw/zinc/46/97/43/546469743.db2.gz LREXUHZKGINITQ-RTBURBONSA-N 1 3 366.550 2.144 10 0 FEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176627753 546469746 /nfs/dbraw/zinc/46/97/46/546469746.db2.gz LREXUHZKGINITQ-RTBURBONSA-N 1 3 366.550 2.144 10 0 FEAEHO C[C@H](NC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000177385348 546606186 /nfs/dbraw/zinc/60/61/86/546606186.db2.gz RQZGLHLDLHISDD-ROUUACIJSA-N 1 3 360.546 2.210 10 0 FEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000177389942 546606721 /nfs/dbraw/zinc/60/67/21/546606721.db2.gz IUBWOXDUEMPHDM-GOSISDBHSA-N 1 3 362.518 2.253 10 0 FEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000177389942 546606723 /nfs/dbraw/zinc/60/67/23/546606723.db2.gz IUBWOXDUEMPHDM-GOSISDBHSA-N 1 3 362.518 2.253 10 0 FEAEHO CCC[C@H](C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000245639929 548963575 /nfs/dbraw/zinc/96/35/75/548963575.db2.gz AUBSNJJPWDWORO-UXHICEINSA-N 1 3 360.546 2.212 10 0 FEAEHO CCN1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000246151824 549063872 /nfs/dbraw/zinc/06/38/72/549063872.db2.gz PMBAWMYZCWNIPP-UXHICEINSA-N 1 3 358.530 2.335 10 0 FEAEHO CCN1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000246151824 549063875 /nfs/dbraw/zinc/06/38/75/549063875.db2.gz PMBAWMYZCWNIPP-UXHICEINSA-N 1 3 358.530 2.335 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000246747675 549203235 /nfs/dbraw/zinc/20/32/35/549203235.db2.gz BFLMGVANRJQHOT-QFBILLFUSA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000246747675 549203239 /nfs/dbraw/zinc/20/32/39/549203239.db2.gz BFLMGVANRJQHOT-QFBILLFUSA-N 1 3 362.518 2.155 10 0 FEAEHO N[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CCOCC1 ZINC000261745465 549750469 /nfs/dbraw/zinc/75/04/69/549750469.db2.gz DPKPAJCMXQHVPC-HXUWFJFHSA-N 1 3 359.514 2.433 10 0 FEAEHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000261956994 549773469 /nfs/dbraw/zinc/77/34/69/549773469.db2.gz PCQGQNZBAGNVKI-YPAWHYETSA-N 1 3 372.557 2.393 10 0 FEAEHO COCC[N@@H+]1C[C@H](CO)C2(C1)CCN(Cc1cccc(Cl)c1)CC2 ZINC000169789520 672322548 /nfs/dbraw/zinc/32/25/48/672322548.db2.gz YEKMKYXPNXCTJG-QGZVFWFLSA-N 1 3 352.906 2.493 10 0 FEAEHO COCC[N@H+]1C[C@H](CO)C2(C1)CCN(Cc1cccc(Cl)c1)CC2 ZINC000169789520 672322551 /nfs/dbraw/zinc/32/25/51/672322551.db2.gz YEKMKYXPNXCTJG-QGZVFWFLSA-N 1 3 352.906 2.493 10 0 FEAEHO CCCCNC(=O)CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128132 543206065 /nfs/dbraw/zinc/20/60/65/543206065.db2.gz UDXSQNSACKORAC-FQEVSTJZSA-N 1 3 361.530 2.280 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000113596187 543491897 /nfs/dbraw/zinc/49/18/97/543491897.db2.gz SBEIBEUQCOZSOL-DLBZAZTESA-N 1 3 366.575 2.226 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000113596187 543491900 /nfs/dbraw/zinc/49/19/00/543491900.db2.gz SBEIBEUQCOZSOL-DLBZAZTESA-N 1 3 366.575 2.226 10 0 FEAEHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000190706962 328226278 /nfs/dbraw/zinc/22/62/78/328226278.db2.gz QDXJNXULBYJDOY-HXUWFJFHSA-N 1 3 373.545 2.277 10 0 FEAEHO CC[C@@H](O)CN1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000123560775 326435692 /nfs/dbraw/zinc/43/56/92/326435692.db2.gz LRNWFTQQKMOFTL-OAQYLSRUSA-N 1 3 374.573 2.106 10 0 FEAEHO CC(C)N(C)C(=O)[C@H](C)[NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000175191352 327378916 /nfs/dbraw/zinc/37/89/16/327378916.db2.gz BIQWNHPVQVBNCT-FXAWDEMLSA-N 1 3 361.530 2.277 10 0 FEAEHO c1ncn([C@H]2CCCN(CCCCC[N@@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157908773 545799006 /nfs/dbraw/zinc/79/90/06/545799006.db2.gz BZCAOEXHIJMGJT-OALUTQOASA-N 1 3 372.521 2.014 10 0 FEAEHO c1ncn([C@H]2CCCN(CCCCC[N@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157908773 545799011 /nfs/dbraw/zinc/79/90/11/545799011.db2.gz BZCAOEXHIJMGJT-OALUTQOASA-N 1 3 372.521 2.014 10 0 FEAEHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CCC[N@H+](CC)C3)c2)CC1 ZINC000184910003 547897977 /nfs/dbraw/zinc/89/79/77/547897977.db2.gz HLGOAQVYEFGLFF-GOSISDBHSA-N 1 3 359.518 2.434 10 0 FEAEHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CCC[N@@H+](CC)C3)c2)CC1 ZINC000184910003 547897982 /nfs/dbraw/zinc/89/79/82/547897982.db2.gz HLGOAQVYEFGLFF-GOSISDBHSA-N 1 3 359.518 2.434 10 0 FEAEHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C12CCOCC2 ZINC000186499263 548144417 /nfs/dbraw/zinc/14/44/17/548144417.db2.gz XHSQQFZMKKDHAV-PWRODBHTSA-N 1 3 374.525 2.317 10 0 FEAEHO C[C@H](O)CN1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000245704734 548980022 /nfs/dbraw/zinc/98/00/22/548980022.db2.gz DTVGBRVNSGRNID-OALUTQOASA-N 1 3 374.573 2.104 10 0 FEAEHO C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247809007 549383175 /nfs/dbraw/zinc/38/31/75/549383175.db2.gz UGRHBIDBWQSTCK-BMFAXAFESA-N 1 3 353.551 2.094 10 0 FEAEHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000248751572 549496282 /nfs/dbraw/zinc/49/62/82/549496282.db2.gz KLURGIBCIBVVNS-APWZRJJASA-N 1 3 372.513 2.162 10 0 FEAEHO COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)N2CCCC2)c1 ZINC000249735163 549620887 /nfs/dbraw/zinc/62/08/87/549620887.db2.gz DHEYMEQWKYMDTJ-PKOBYXMFSA-N 1 3 360.502 2.226 10 0 FEAEHO COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)N2CCCC2)c1 ZINC000249735163 549620889 /nfs/dbraw/zinc/62/08/89/549620889.db2.gz DHEYMEQWKYMDTJ-PKOBYXMFSA-N 1 3 360.502 2.226 10 0 FEAEHO CC(C)C[N@H+]1CCc2nnc([C@@H]3CCN(Cc4cccnc4)C3)n2CC1 ZINC000257184342 549713542 /nfs/dbraw/zinc/71/35/42/549713542.db2.gz ILJMTSGMVFMXCZ-GOSISDBHSA-N 1 3 354.502 2.177 10 0 FEAEHO CC(C)C[N@@H+]1CCc2nnc([C@@H]3CCN(Cc4cccnc4)C3)n2CC1 ZINC000257184342 549713544 /nfs/dbraw/zinc/71/35/44/549713544.db2.gz ILJMTSGMVFMXCZ-GOSISDBHSA-N 1 3 354.502 2.177 10 0 FEAEHO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000385663287 558606806 /nfs/dbraw/zinc/60/68/06/558606806.db2.gz LBVISKMCDNULIU-IYWMVGAKSA-N 1 3 360.498 2.191 10 0 FEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653151920 677517745 /nfs/dbraw/zinc/51/77/45/677517745.db2.gz XXBOCLJLNJIKSK-DTZQCDIJSA-N 1 3 355.404 2.021 10 0 FEAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000106126511 543204554 /nfs/dbraw/zinc/20/45/54/543204554.db2.gz OIKZUCHGFHPRKG-IRXDYDNUSA-N 1 3 353.551 2.096 10 0 FEAEHO CCO[C@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C12CCOCC2 ZINC000186437373 327961850 /nfs/dbraw/zinc/96/18/50/327961850.db2.gz UJOJURBWQOQWBS-ROUUACIJSA-N 1 3 363.502 2.086 10 0 FEAEHO CC(C)CNC(=O)[C@H](C)[NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000112549986 325790403 /nfs/dbraw/zinc/79/04/03/325790403.db2.gz GTEFEUNLFWHUIE-PXNSSMCTSA-N 1 3 361.530 2.182 10 0 FEAEHO CC[C@H](C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)N(C)C ZINC000131759884 326581386 /nfs/dbraw/zinc/58/13/86/326581386.db2.gz JTEDWXIKRMATJH-WOJBJXKFSA-N 1 3 361.530 2.231 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000164119158 327064921 /nfs/dbraw/zinc/06/49/21/327064921.db2.gz LMDQMWPNYMACFQ-LAUBAEHRSA-N 1 3 371.525 2.200 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000164119158 327064923 /nfs/dbraw/zinc/06/49/23/327064923.db2.gz LMDQMWPNYMACFQ-LAUBAEHRSA-N 1 3 371.525 2.200 10 0 FEAEHO CCN1CCC[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000171351181 327134199 /nfs/dbraw/zinc/13/41/99/327134199.db2.gz ICRDFNAHWVMXGT-SFHVURJKSA-N 1 3 362.518 2.301 10 0 FEAEHO Cc1ccccc1CN1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171900355 327168578 /nfs/dbraw/zinc/16/85/78/327168578.db2.gz HUMSWCWTPXXQET-FQEVSTJZSA-N 1 3 356.514 2.449 10 0 FEAEHO Cc1ccccc1CN1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171900355 327168580 /nfs/dbraw/zinc/16/85/80/327168580.db2.gz HUMSWCWTPXXQET-FQEVSTJZSA-N 1 3 356.514 2.449 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000176867148 546498473 /nfs/dbraw/zinc/49/84/73/546498473.db2.gz OSNTYGIVRIVLAD-NQIIRXRSSA-N 1 3 373.541 2.202 10 0 FEAEHO CC(C)N(C)CC(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177455622 546623150 /nfs/dbraw/zinc/62/31/50/546623150.db2.gz WAKJQDMFMHYZRX-HXUWFJFHSA-N 1 3 361.530 2.231 10 0 FEAEHO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000180620393 547143734 /nfs/dbraw/zinc/14/37/34/547143734.db2.gz YDTLLQXHGOQYDM-NVXWUHKLSA-N 1 3 357.502 2.447 10 0 FEAEHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182641878 547526282 /nfs/dbraw/zinc/52/62/82/547526282.db2.gz VVVAJFINTVMOLG-PXNSSMCTSA-N 1 3 361.530 2.416 10 0 FEAEHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000248764418 549497867 /nfs/dbraw/zinc/49/78/67/549497867.db2.gz NGAZUVHKGPAPSV-APWZRJJASA-N 1 3 374.529 2.312 10 0 FEAEHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000246011133 672827944 /nfs/dbraw/zinc/82/79/44/672827944.db2.gz TUYBRYVMGHBKLJ-ZACQAIPSSA-N 1 3 355.523 2.068 10 0 FEAEHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653111062 677516326 /nfs/dbraw/zinc/51/63/26/677516326.db2.gz CHLVJYOGGBAAFI-ARFHVFGLSA-N 1 3 355.404 2.165 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000113607046 543492731 /nfs/dbraw/zinc/49/27/31/543492731.db2.gz DALKTWVRUWDLNO-SJLPKXTDSA-N 1 3 360.502 2.005 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000113607046 543492734 /nfs/dbraw/zinc/49/27/34/543492734.db2.gz DALKTWVRUWDLNO-SJLPKXTDSA-N 1 3 360.502 2.005 10 0 FEAEHO CSC[C@@H](O)C[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000187879794 328052126 /nfs/dbraw/zinc/05/21/26/328052126.db2.gz OIXIUUJLDFBNIT-RBUKOAKNSA-N 1 3 352.544 2.088 10 0 FEAEHO CSC[C@@H](O)C[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000187879794 328052128 /nfs/dbraw/zinc/05/21/28/328052128.db2.gz OIXIUUJLDFBNIT-RBUKOAKNSA-N 1 3 352.544 2.088 10 0 FEAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000190356545 328202260 /nfs/dbraw/zinc/20/22/60/328202260.db2.gz VVGVKCJORJAGJN-ZWKOTPCHSA-N 1 3 372.513 2.080 10 0 FEAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000190356545 328202261 /nfs/dbraw/zinc/20/22/61/328202261.db2.gz VVGVKCJORJAGJN-ZWKOTPCHSA-N 1 3 372.513 2.080 10 0 FEAEHO C[C@@H](CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)C[NH+]1CCCC1 ZINC000190697397 328225266 /nfs/dbraw/zinc/22/52/66/328225266.db2.gz BDMXDHGISWEFKP-AZUAARDMSA-N 1 3 373.545 2.277 10 0 FEAEHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190705918 328226382 /nfs/dbraw/zinc/22/63/82/328226382.db2.gz VKLIAPVYPFOYCT-PKOBYXMFSA-N 1 3 361.534 2.275 10 0 FEAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190705918 328226384 /nfs/dbraw/zinc/22/63/84/328226384.db2.gz VKLIAPVYPFOYCT-PKOBYXMFSA-N 1 3 361.534 2.275 10 0 FEAEHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H](C)C[C@H]3C[NH3+])cc2)CC1 ZINC000261713817 328813778 /nfs/dbraw/zinc/81/37/78/328813778.db2.gz GJDNHJWHBPTJDK-PXNSSMCTSA-N 1 3 358.530 2.416 10 0 FEAEHO CC(C)N1CC[C@H](N(C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000245468331 548929685 /nfs/dbraw/zinc/92/96/85/548929685.db2.gz KPGUYGSNACKWOT-LEWJYISDSA-N 1 3 373.541 2.373 10 0 FEAEHO COc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)N2CCCC2)cc1 ZINC000252442350 549665739 /nfs/dbraw/zinc/66/57/39/549665739.db2.gz VAPFZODQEBEKDY-AZUAARDMSA-N 1 3 372.513 2.322 10 0 FEAEHO COc1ccc([C@@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)N2CCCC2)cc1 ZINC000252442350 549665744 /nfs/dbraw/zinc/66/57/44/549665744.db2.gz VAPFZODQEBEKDY-AZUAARDMSA-N 1 3 372.513 2.322 10 0 FEAEHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000180210097 672410846 /nfs/dbraw/zinc/41/08/46/672410846.db2.gz TUYBRYVMGHBKLJ-IKGGRYGDSA-N 1 3 355.523 2.068 10 0 FEAEHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653151923 677517663 /nfs/dbraw/zinc/51/76/63/677517663.db2.gz XXBOCLJLNJIKSK-XZDPQHSOSA-N 1 3 355.404 2.021 10 0 FEAEHO CCCNC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127863 543204870 /nfs/dbraw/zinc/20/48/70/543204870.db2.gz KYMJPRJSFHINQG-PXNSSMCTSA-N 1 3 361.530 2.279 10 0 FEAEHO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000191486047 328268124 /nfs/dbraw/zinc/26/81/24/328268124.db2.gz ATITZFCATDYUTG-HXUWFJFHSA-N 1 3 362.566 2.023 10 0 FEAEHO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000191486047 328268126 /nfs/dbraw/zinc/26/81/26/328268126.db2.gz ATITZFCATDYUTG-HXUWFJFHSA-N 1 3 362.566 2.023 10 0 FEAEHO CC[C@@H](C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)N(C)C ZINC000131759668 326581357 /nfs/dbraw/zinc/58/13/57/326581357.db2.gz JTEDWXIKRMATJH-VQTJNVASSA-N 1 3 361.530 2.231 10 0 FEAEHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182641898 547526575 /nfs/dbraw/zinc/52/65/75/547526575.db2.gz VVVAJFINTVMOLG-FXAWDEMLSA-N 1 3 361.530 2.416 10 0 FEAEHO CN1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[C@@H]1c1cccs1 ZINC000246797801 549215452 /nfs/dbraw/zinc/21/54/52/549215452.db2.gz AWAVEDPJYUPQLL-BFYDXBDKSA-N 1 3 350.532 2.477 10 0 FEAEHO CSC[C@H](O)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000249279496 549575619 /nfs/dbraw/zinc/57/56/19/549575619.db2.gz OIXIUUJLDFBNIT-MOPGFXCFSA-N 1 3 352.544 2.088 10 0 FEAEHO CSC[C@H](O)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000249279496 549575623 /nfs/dbraw/zinc/57/56/23/549575623.db2.gz OIXIUUJLDFBNIT-MOPGFXCFSA-N 1 3 352.544 2.088 10 0 FEAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)C2)cc1 ZINC000261992572 549777628 /nfs/dbraw/zinc/77/76/28/549777628.db2.gz SXIFOMMUWZALCP-YSFYHYPLSA-N 1 3 357.542 2.298 10 0 FEAEHO CNC(=O)c1nn(C)c2c1C[C@H](NCC1([NH+]3CCCCC3)CCCC1)CC2 ZINC000032500572 208029556 /nfs/dbraw/zinc/02/95/56/208029556.db2.gz AYYMHITZTORXHW-MRXNPFEDSA-N 1 3 373.545 2.025 10 0 FEAEHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCO[C@H](CN(C)C)C2)CC1 ZINC000117052324 543622457 /nfs/dbraw/zinc/62/24/57/543622457.db2.gz VLEIBXMVDGGHEI-FXAWDEMLSA-N 1 3 374.529 2.184 10 0 FEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000152382957 544646282 /nfs/dbraw/zinc/64/62/82/544646282.db2.gz MMQJQRWTKBKLLQ-LJQANCHMSA-N 1 3 361.534 2.275 10 0 FEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000152382957 544646286 /nfs/dbraw/zinc/64/62/86/544646286.db2.gz MMQJQRWTKBKLLQ-LJQANCHMSA-N 1 3 361.534 2.275 10 0 FEAEHO CC[N@H+](CCNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000190705221 328226061 /nfs/dbraw/zinc/22/60/61/328226061.db2.gz NPZPEGVCNKWMDS-SFHVURJKSA-N 1 3 359.518 2.029 10 0 FEAEHO CC[N@@H+](CCNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000190705221 328226062 /nfs/dbraw/zinc/22/60/62/328226062.db2.gz NPZPEGVCNKWMDS-SFHVURJKSA-N 1 3 359.518 2.029 10 0 FEAEHO C[C@@H](C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000114539306 325902898 /nfs/dbraw/zinc/90/28/98/325902898.db2.gz NGUJFTSNDNYERR-KURKYZTESA-N 1 3 373.545 2.053 10 0 FEAEHO C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000170835483 327101326 /nfs/dbraw/zinc/10/13/26/327101326.db2.gz JWALMVLFCJXSJJ-CVEARBPZSA-N 1 3 350.532 2.306 10 0 FEAEHO COC(=O)c1cc(F)ccc1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000170941663 327108650 /nfs/dbraw/zinc/10/86/50/327108650.db2.gz ZGPMWQGIUJRNIC-AWEZNQCLSA-N 1 3 352.450 2.137 10 0 FEAEHO O[C@H](COCc1ccccc1)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173950739 327297111 /nfs/dbraw/zinc/29/71/11/327297111.db2.gz CGCVKLPCHBEPPM-FQEVSTJZSA-N 1 3 362.514 2.141 10 0 FEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000174438946 327327084 /nfs/dbraw/zinc/32/70/84/327327084.db2.gz DIKPMJMGJDIJSD-RTBURBONSA-N 1 3 374.529 2.395 10 0 FEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000174438946 327327085 /nfs/dbraw/zinc/32/70/85/327327085.db2.gz DIKPMJMGJDIJSD-RTBURBONSA-N 1 3 374.529 2.395 10 0 FEAEHO CCN1CCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174855445 327355424 /nfs/dbraw/zinc/35/54/24/327355424.db2.gz XOEQKVRDTDRSLG-RTWAWAEBSA-N 1 3 373.541 2.423 10 0 FEAEHO Cc1cccc(CN(CCN(C)C)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000262854838 328895095 /nfs/dbraw/zinc/89/50/95/328895095.db2.gz VSEFPWGAPYSERP-IBGZPJMESA-N 1 3 369.513 2.320 10 0 FEAEHO CCN(CC)CC(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177466024 546625178 /nfs/dbraw/zinc/62/51/78/546625178.db2.gz UDTIELUSULTKHN-FQEVSTJZSA-N 1 3 361.530 2.232 10 0 FEAEHO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](CN(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000246517418 549150625 /nfs/dbraw/zinc/15/06/25/549150625.db2.gz OFKYVPOCTDVADY-HOJAQTOUSA-N 1 3 374.529 2.012 10 0 FEAEHO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](CN(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000246517418 549150629 /nfs/dbraw/zinc/15/06/29/549150629.db2.gz OFKYVPOCTDVADY-HOJAQTOUSA-N 1 3 374.529 2.012 10 0 FEAEHO C[C@H](C(=O)NC1CCC(C)CC1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247805798 549381580 /nfs/dbraw/zinc/38/15/80/549381580.db2.gz SPTVJESGLKNMGR-DHADLLTHSA-N 1 3 353.551 2.094 10 0 FEAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)C2)cc1 ZINC000261992570 549778178 /nfs/dbraw/zinc/77/81/78/549778178.db2.gz SXIFOMMUWZALCP-GXRSIYKFSA-N 1 3 357.542 2.298 10 0 FEAEHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000246011130 672827869 /nfs/dbraw/zinc/82/78/69/672827869.db2.gz TUYBRYVMGHBKLJ-BRWVUGGUSA-N 1 3 355.523 2.068 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000247400612 549329166 /nfs/dbraw/zinc/32/91/66/549329166.db2.gz LMDQMWPNYMACFQ-UTKZUKDTSA-N 1 3 371.525 2.200 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000247400612 549329168 /nfs/dbraw/zinc/32/91/68/549329168.db2.gz LMDQMWPNYMACFQ-UTKZUKDTSA-N 1 3 371.525 2.200 10 0 FEAEHO Cc1c([O-])ccc2c(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc(=O)oc12 ZINC000106126076 543204668 /nfs/dbraw/zinc/20/46/68/543204668.db2.gz ANJVNQCXJMJBCC-AWEZNQCLSA-N 1 3 374.481 2.332 10 0 FEAEHO Cc1c([O-])ccc2c(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc(=O)oc12 ZINC000106126076 543204670 /nfs/dbraw/zinc/20/46/70/543204670.db2.gz ANJVNQCXJMJBCC-AWEZNQCLSA-N 1 3 374.481 2.332 10 0 FEAEHO COc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)N2CCCC2)cc1 ZINC000171896331 327167999 /nfs/dbraw/zinc/16/79/99/327167999.db2.gz VAPFZODQEBEKDY-QUCCMNQESA-N 1 3 372.513 2.322 10 0 FEAEHO COc1ccc([C@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)N2CCCC2)cc1 ZINC000171896331 327168000 /nfs/dbraw/zinc/16/80/00/327168000.db2.gz VAPFZODQEBEKDY-QUCCMNQESA-N 1 3 372.513 2.322 10 0 FEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000246294222 549098755 /nfs/dbraw/zinc/09/87/55/549098755.db2.gz BHNHJPPEDBNUIG-BWPNAZKDSA-N 1 3 358.530 2.489 10 0 FEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000246294222 549098759 /nfs/dbraw/zinc/09/87/59/549098759.db2.gz BHNHJPPEDBNUIG-BWPNAZKDSA-N 1 3 358.530 2.489 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000247767924 549377846 /nfs/dbraw/zinc/37/78/46/549377846.db2.gz OIKZUCHGFHPRKG-IAGOWNOFSA-N 1 3 353.551 2.096 10 0 FEAEHO CC(C)OC[C@H](O)C[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000247780319 549381239 /nfs/dbraw/zinc/38/12/39/549381239.db2.gz XLTOMJROYMAUHQ-NHCUHLMSSA-N 1 3 364.530 2.150 10 0 FEAEHO CC(C)OC[C@H](O)C[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000247780319 549381241 /nfs/dbraw/zinc/38/12/41/549381241.db2.gz XLTOMJROYMAUHQ-NHCUHLMSSA-N 1 3 364.530 2.150 10 0 FEAEHO C[C@@H](NC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000247807954 549382899 /nfs/dbraw/zinc/38/28/99/549382899.db2.gz TYFBZETYNLMBLR-KSZLIROESA-N 1 3 361.530 2.277 10 0 FEAEHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2(N)CCOCC2)C1 ZINC000261872964 549765311 /nfs/dbraw/zinc/76/53/11/549765311.db2.gz OHRAOAXSAAHWRM-CALCHBBNSA-N 1 3 359.514 2.289 10 0 FEAEHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C2(N)CCOCC2)C1 ZINC000261872964 549765314 /nfs/dbraw/zinc/76/53/14/549765314.db2.gz OHRAOAXSAAHWRM-CALCHBBNSA-N 1 3 359.514 2.289 10 0 FEAEHO COCC[N@@H+]1C[C@@H](CO)C2(C1)CCN(Cc1cccc(Cl)c1)CC2 ZINC000169789519 672322572 /nfs/dbraw/zinc/32/25/72/672322572.db2.gz YEKMKYXPNXCTJG-KRWDZBQOSA-N 1 3 352.906 2.493 10 0 FEAEHO COCC[N@H+]1C[C@@H](CO)C2(C1)CCN(Cc1cccc(Cl)c1)CC2 ZINC000169789519 672322575 /nfs/dbraw/zinc/32/25/75/672322575.db2.gz YEKMKYXPNXCTJG-KRWDZBQOSA-N 1 3 352.906 2.493 10 0 FEAEHO Cc1c[nH]c(CC[NH2+]Cc2ccc(OC[C@H](O)CN3CCCCC3)cc2)n1 ZINC000011935503 207330568 /nfs/dbraw/zinc/33/05/68/207330568.db2.gz RTKVWDKAZOWISP-LJQANCHMSA-N 1 3 372.513 2.276 10 0 FEAEHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(NC3CCN(C)CC3)nc2)C1 ZINC000011873378 207327577 /nfs/dbraw/zinc/32/75/77/207327577.db2.gz QBOZEYBBOHYRAA-QGZVFWFLSA-N 1 3 373.545 2.295 10 0 FEAEHO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(NC3CCN(C)CC3)nc2)C1 ZINC000011873378 207327579 /nfs/dbraw/zinc/32/75/79/207327579.db2.gz QBOZEYBBOHYRAA-QGZVFWFLSA-N 1 3 373.545 2.295 10 0 FEAEHO Cc1cc(N2CCC([NH2+]CCCN3CCc4ccccc43)CC2)nc(N)n1 ZINC000095354236 132207303 /nfs/dbraw/zinc/20/73/03/132207303.db2.gz NIFZBCHBIQRJHM-UHFFFAOYSA-N 1 3 366.513 2.378 10 0 FEAEHO C[C@@H]([NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)NC(C)(C)C ZINC000112549955 543451410 /nfs/dbraw/zinc/45/14/10/543451410.db2.gz RTYVTSRNPUQRNU-VQIMIIECSA-N 1 3 361.530 2.325 10 0 FEAEHO CCOC(=O)C1CCC(O)(CN2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000190905628 328239635 /nfs/dbraw/zinc/23/96/35/328239635.db2.gz ARMVYQBLDNZSIE-FDYSRKEFSA-N 1 3 352.519 2.421 10 0 FEAEHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCO[C@H](CN(C)C)C1)c1ccccc1 ZINC000117050385 326048799 /nfs/dbraw/zinc/04/87/99/326048799.db2.gz QILYGTJSVQXUAZ-FUHWJXTLSA-N 1 3 362.518 2.088 10 0 FEAEHO C[C@@H](O)CN1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000120630782 326273939 /nfs/dbraw/zinc/27/39/39/326273939.db2.gz DTVGBRVNSGRNID-RBUKOAKNSA-N 1 3 374.573 2.104 10 0 FEAEHO COc1ccc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(OC)c1OC ZINC000121097192 326313023 /nfs/dbraw/zinc/31/30/23/326313023.db2.gz CNBGQBKORLOINS-OAHLLOKOSA-N 1 3 366.502 2.237 10 0 FEAEHO C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3COCCN3)nc2)CC1 ZINC000262036069 328837045 /nfs/dbraw/zinc/83/70/45/328837045.db2.gz XYGYJKCPXOZPIO-ZCNNSNEGSA-N 1 3 373.545 2.181 10 0 FEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176629567 546470465 /nfs/dbraw/zinc/47/04/65/546470465.db2.gz WNDBRJDUUYMHRP-SFHVURJKSA-N 1 3 354.539 2.002 10 0 FEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176629567 546470467 /nfs/dbraw/zinc/47/04/67/546470467.db2.gz WNDBRJDUUYMHRP-SFHVURJKSA-N 1 3 354.539 2.002 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000247245969 549306026 /nfs/dbraw/zinc/30/60/26/549306026.db2.gz NHKUNCHTTIRYHT-WMZOPIPTSA-N 1 3 360.502 2.005 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000247245969 549306030 /nfs/dbraw/zinc/30/60/30/549306030.db2.gz NHKUNCHTTIRYHT-WMZOPIPTSA-N 1 3 360.502 2.005 10 0 FEAEHO CCCNC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247600538 549364826 /nfs/dbraw/zinc/36/48/26/549364826.db2.gz KYMJPRJSFHINQG-YLJYHZDGSA-N 1 3 361.530 2.279 10 0 FEAEHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)C1 ZINC000253203033 549680513 /nfs/dbraw/zinc/68/05/13/549680513.db2.gz FFISEDSZYNWODZ-UXHICEINSA-N 1 3 373.545 2.277 10 0 FEAEHO CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)C1 ZINC000253203033 549680516 /nfs/dbraw/zinc/68/05/16/549680516.db2.gz FFISEDSZYNWODZ-UXHICEINSA-N 1 3 373.545 2.277 10 0 FEAEHO Cc1cccc(CN(CCN(C)C)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000262854840 549856173 /nfs/dbraw/zinc/85/61/73/549856173.db2.gz VSEFPWGAPYSERP-LJQANCHMSA-N 1 3 369.513 2.320 10 0 FEAEHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CN1Cc1ccccc1 ZINC000653122371 677516680 /nfs/dbraw/zinc/51/66/80/677516680.db2.gz VDCQNENXEWYNNZ-DTZQCDIJSA-N 1 3 355.404 2.164 10 0 FEAEHO C[C@H]1CCCC[N@@H+]1CCN(C)c1nc(-c2cccnc2)nc2c1CCNC2 ZINC000071750811 541770084 /nfs/dbraw/zinc/77/00/84/541770084.db2.gz AIPWTHVPTCEWKW-INIZCTEOSA-N 1 3 366.513 2.495 10 0 FEAEHO C[C@H]1CCCC[N@H+]1CCN(C)c1nc(-c2cccnc2)nc2c1CCNC2 ZINC000071750811 541770088 /nfs/dbraw/zinc/77/00/88/541770088.db2.gz AIPWTHVPTCEWKW-INIZCTEOSA-N 1 3 366.513 2.495 10 0 FEAEHO CCN(CC)C(=O)CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128122 543205475 /nfs/dbraw/zinc/20/54/75/543205475.db2.gz RPNYZNHFEMLXHT-HXUWFJFHSA-N 1 3 361.530 2.232 10 0 FEAEHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000190695013 328225616 /nfs/dbraw/zinc/22/56/16/328225616.db2.gz ULTFHNIDPZWAFR-RBUKOAKNSA-N 1 3 371.529 2.029 10 0 FEAEHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000190695013 328225617 /nfs/dbraw/zinc/22/56/17/328225617.db2.gz ULTFHNIDPZWAFR-RBUKOAKNSA-N 1 3 371.529 2.029 10 0 FEAEHO CC(C)N1CCO[C@@H](CN2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000174738832 327347228 /nfs/dbraw/zinc/34/72/28/327347228.db2.gz TWZDPXCIBYVEOO-SFHVURJKSA-N 1 3 354.498 2.466 10 0 FEAEHO C[C@H](C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000246721992 328639903 /nfs/dbraw/zinc/63/99/03/328639903.db2.gz NGUJFTSNDNYERR-KZNAEPCWSA-N 1 3 373.545 2.053 10 0 FEAEHO CC(C)[N@H+]1C[C@H](NC(=O)NCc2cccc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000157829032 545789892 /nfs/dbraw/zinc/78/98/92/545789892.db2.gz HNCDPSJEBJRHGR-LPHOPBHVSA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](NC(=O)NCc2cccc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000157829032 545789898 /nfs/dbraw/zinc/78/98/98/545789898.db2.gz HNCDPSJEBJRHGR-LPHOPBHVSA-N 1 3 362.518 2.155 10 0 FEAEHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177385322 546605695 /nfs/dbraw/zinc/60/56/95/546605695.db2.gz RQZGLHLDLHISDD-ZWKOTPCHSA-N 1 3 360.546 2.210 10 0 FEAEHO CCN1CCC[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000194142259 548440699 /nfs/dbraw/zinc/44/06/99/548440699.db2.gz ZXXCMZCHFXKDPV-HXUWFJFHSA-N 1 3 358.530 2.477 10 0 FEAEHO COC(=O)c1oc([C@H](C)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000245616916 548958216 /nfs/dbraw/zinc/95/82/16/548958216.db2.gz MUKHOHHCRXVSAO-GJZGRUSLSA-N 1 3 352.475 2.460 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000246741797 549201332 /nfs/dbraw/zinc/20/13/32/549201332.db2.gz AZVIJUKOWOYGBG-FXAWDEMLSA-N 1 3 358.530 2.463 10 0 FEAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000246741797 549201335 /nfs/dbraw/zinc/20/13/35/549201335.db2.gz AZVIJUKOWOYGBG-FXAWDEMLSA-N 1 3 358.530 2.463 10 0 FEAEHO N[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000261780693 549755092 /nfs/dbraw/zinc/75/50/92/549755092.db2.gz MZFLDTVIXRDPKX-RBBKRZOGSA-N 1 3 371.525 2.255 10 0 FEAEHO N[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000261780693 549755094 /nfs/dbraw/zinc/75/50/94/549755094.db2.gz MZFLDTVIXRDPKX-RBBKRZOGSA-N 1 3 371.525 2.255 10 0 FEAEHO CCN1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000194169973 672750585 /nfs/dbraw/zinc/75/05/85/672750585.db2.gz KOLONAQNJFCTJG-KRWDZBQOSA-N 1 3 350.482 2.383 10 0 FEAEHO C[NH+](C)[C@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000112217215 543434776 /nfs/dbraw/zinc/43/47/76/543434776.db2.gz DDEBSPBJGOTUOL-INIZCTEOSA-N 1 3 354.564 2.084 10 0 FEAEHO Cc1c(OCCCN2CCN(C)CC2)cc(Cl)cc1N1CC[NH2+]CC1 ZINC000150325395 544462453 /nfs/dbraw/zinc/46/24/53/544462453.db2.gz SVQBXJZDAGXPOT-UHFFFAOYSA-N 1 3 366.937 2.074 10 0 FEAEHO CC(C)[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000119875821 326207576 /nfs/dbraw/zinc/20/75/76/326207576.db2.gz FFDVRMSVKGVZIE-LEWJYISDSA-N 1 3 373.541 2.032 10 0 FEAEHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000152019676 326697082 /nfs/dbraw/zinc/69/70/82/326697082.db2.gz QLTCIFKSRMTKFT-YLJYHZDGSA-N 1 3 374.529 2.089 10 0 FEAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc(Br)cn2)CC1 ZINC000171960655 327173005 /nfs/dbraw/zinc/17/30/05/327173005.db2.gz HSPPHXOONZKKHA-ZDUSSCGKSA-N 1 3 356.308 2.369 10 0 FEAEHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000246294251 328605785 /nfs/dbraw/zinc/60/57/85/328605785.db2.gz BHNHJPPEDBNUIG-ZHALLVOQSA-N 1 3 358.530 2.489 10 0 FEAEHO Cc1nccn1C[C@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000158817701 545897702 /nfs/dbraw/zinc/89/77/02/545897702.db2.gz MOAMDYOCQVFJBR-UXHICEINSA-N 1 3 369.513 2.075 10 0 FEAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000251993660 549658906 /nfs/dbraw/zinc/65/89/06/549658906.db2.gz VKLIAPVYPFOYCT-MJGOQNOKSA-N 1 3 361.534 2.275 10 0 FEAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000251993660 549658909 /nfs/dbraw/zinc/65/89/09/549658909.db2.gz VKLIAPVYPFOYCT-MJGOQNOKSA-N 1 3 361.534 2.275 10 0 FEAEHO NC(=O)[C@H](NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000112549927 543451525 /nfs/dbraw/zinc/45/15/25/543451525.db2.gz POEQDBJYMWLKBZ-LEWJYISDSA-N 1 3 367.493 2.248 10 0 FEAEHO Cc1cccc(NC[C@@H]2CCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000114456151 543517039 /nfs/dbraw/zinc/51/70/39/543517039.db2.gz TVNUWYQPKFXBEF-SFHVURJKSA-N 1 3 373.545 2.113 10 0 FEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000124406587 543819510 /nfs/dbraw/zinc/81/95/10/543819510.db2.gz CHELOXANUIMGOO-LJQANCHMSA-N 1 3 368.566 2.295 10 0 FEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000124406587 543819512 /nfs/dbraw/zinc/81/95/12/543819512.db2.gz CHELOXANUIMGOO-LJQANCHMSA-N 1 3 368.566 2.295 10 0 FEAEHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000189462945 328149698 /nfs/dbraw/zinc/14/96/98/328149698.db2.gz BHFCTTYKOMLJNP-IBGZPJMESA-N 1 3 374.529 2.410 10 0 FEAEHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 ZINC000189495496 328151685 /nfs/dbraw/zinc/15/16/85/328151685.db2.gz KLURGIBCIBVVNS-QFBILLFUSA-N 1 3 372.513 2.162 10 0 FEAEHO C[NH+](C)[C@@H]1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000170835409 327101445 /nfs/dbraw/zinc/10/14/45/327101445.db2.gz OWOSGAXVAYREPR-MRXNPFEDSA-N 1 3 350.532 2.306 10 0 FEAEHO COc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000170862281 327103378 /nfs/dbraw/zinc/10/33/78/327103378.db2.gz MAVINDGWSHYQFR-HKUYNNGSSA-N 1 3 360.502 2.178 10 0 FEAEHO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000175191331 327378803 /nfs/dbraw/zinc/37/88/03/327378803.db2.gz BIQWNHPVQVBNCT-YLJYHZDGSA-N 1 3 361.530 2.277 10 0 FEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000177448880 546619933 /nfs/dbraw/zinc/61/99/33/546619933.db2.gz CZDRCGVTLKNINN-SFHVURJKSA-N 1 3 362.518 2.253 10 0 FEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000177448880 546619937 /nfs/dbraw/zinc/61/99/37/546619937.db2.gz CZDRCGVTLKNINN-SFHVURJKSA-N 1 3 362.518 2.253 10 0 FEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000245664312 548969609 /nfs/dbraw/zinc/96/96/09/548969609.db2.gz DOHPLVYFJRZRCH-MOPGFXCFSA-N 1 3 374.529 2.395 10 0 FEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000245664312 548969612 /nfs/dbraw/zinc/96/96/12/548969612.db2.gz DOHPLVYFJRZRCH-MOPGFXCFSA-N 1 3 374.529 2.395 10 0 FEAEHO Cc1ccc(CNC(=O)[C@@H](C)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000247581061 549362669 /nfs/dbraw/zinc/36/26/69/549362669.db2.gz ILDVCOIPRHEGJR-ZWKOTPCHSA-N 1 3 361.530 2.024 10 0 FEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000248783786 549501544 /nfs/dbraw/zinc/50/15/44/549501544.db2.gz IDKYZTZSRQAXAP-LFGUQSLTSA-N 1 3 356.514 2.385 10 0 FEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000248783786 549501546 /nfs/dbraw/zinc/50/15/46/549501546.db2.gz IDKYZTZSRQAXAP-LFGUQSLTSA-N 1 3 356.514 2.385 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000249093078 549549374 /nfs/dbraw/zinc/54/93/74/549549374.db2.gz DXOIAWGJRQKARN-HZPDHXFCSA-N 1 3 368.543 2.176 10 0 FEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653120730 677516744 /nfs/dbraw/zinc/51/67/44/677516744.db2.gz YQJWEPFWAMFKGE-ARFHVFGLSA-N 1 3 355.404 2.165 10 0 FEAEHO C[C@@H](CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)[N@H+](C)C1CC1 ZINC000190707536 328226486 /nfs/dbraw/zinc/22/64/86/328226486.db2.gz TVBXXXGBVWGPJX-WMZOPIPTSA-N 1 3 359.518 2.028 10 0 FEAEHO C[C@@H](CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000190707536 328226487 /nfs/dbraw/zinc/22/64/87/328226487.db2.gz TVBXXXGBVWGPJX-WMZOPIPTSA-N 1 3 359.518 2.028 10 0 FEAEHO C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](CN(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175645908 546327576 /nfs/dbraw/zinc/32/75/76/546327576.db2.gz OFKYVPOCTDVADY-MISYRCLQSA-N 1 3 374.529 2.012 10 0 FEAEHO C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](CN(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000175645908 546327580 /nfs/dbraw/zinc/32/75/80/546327580.db2.gz OFKYVPOCTDVADY-MISYRCLQSA-N 1 3 374.529 2.012 10 0 FEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000179751906 547007379 /nfs/dbraw/zinc/00/73/79/547007379.db2.gz KXRMYHPZYFUABS-LJQANCHMSA-N 1 3 359.518 2.424 10 0 FEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000179751906 547007386 /nfs/dbraw/zinc/00/73/86/547007386.db2.gz KXRMYHPZYFUABS-LJQANCHMSA-N 1 3 359.518 2.424 10 0 FEAEHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000251993656 549659675 /nfs/dbraw/zinc/65/96/75/549659675.db2.gz VKLIAPVYPFOYCT-HKUYNNGSSA-N 1 3 361.534 2.275 10 0 FEAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000251993656 549659678 /nfs/dbraw/zinc/65/96/78/549659678.db2.gz VKLIAPVYPFOYCT-HKUYNNGSSA-N 1 3 361.534 2.275 10 0 FEAEHO COCCNCc1ccc(OC[C@H](O)C[NH+]2CCCCCC2)c(OC)c1 ZINC000015071602 211118690 /nfs/dbraw/zinc/11/86/90/211118690.db2.gz MBQITTNPXHINRJ-GOSISDBHSA-N 1 3 366.502 2.047 10 0 FEAEHO COc1cccc(N2CCC(N3CCN(c4cc(N)cc[nH+]4)CC3)CC2)c1 ZINC000065529467 221230944 /nfs/dbraw/zinc/23/09/44/221230944.db2.gz RVHFPIMBEAGABF-UHFFFAOYSA-N 1 3 367.497 2.463 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000106124995 543204760 /nfs/dbraw/zinc/20/47/60/543204760.db2.gz SPTVJESGLKNMGR-ISXWCOSWSA-N 1 3 353.551 2.094 10 0 FEAEHO Cc1ccc(CNC(=O)[C@@H](C)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000106125717 543204934 /nfs/dbraw/zinc/20/49/34/543204934.db2.gz ILDVCOIPRHEGJR-QZTJIDSGSA-N 1 3 361.530 2.024 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000113589124 543491720 /nfs/dbraw/zinc/49/17/20/543491720.db2.gz USKDJCYMVAWSFZ-SJLPKXTDSA-N 1 3 360.502 2.005 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000113589124 543491722 /nfs/dbraw/zinc/49/17/22/543491722.db2.gz USKDJCYMVAWSFZ-SJLPKXTDSA-N 1 3 360.502 2.005 10 0 FEAEHO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)[C@@H](C)C1 ZINC000121298677 326328185 /nfs/dbraw/zinc/32/81/85/326328185.db2.gz UYFVPONQXJKIKF-UWJYYQICSA-N 1 3 373.541 2.349 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)[C@@H](C)C1 ZINC000121298677 326328188 /nfs/dbraw/zinc/32/81/88/326328188.db2.gz UYFVPONQXJKIKF-UWJYYQICSA-N 1 3 373.541 2.349 10 0 FEAEHO C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)N1CCOCC1 ZINC000132855716 326598973 /nfs/dbraw/zinc/59/89/73/326598973.db2.gz BSHOLYADVMGWFS-SFHVURJKSA-N 1 3 360.546 2.027 10 0 FEAEHO COc1ccc(CN2CCC(CNC(=O)N3CC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC000170835104 327101311 /nfs/dbraw/zinc/10/13/11/327101311.db2.gz BLMRKAWVJDVFGI-IBGZPJMESA-N 1 3 374.529 2.253 10 0 FEAEHO CC(C)[N@H+]1C[C@H](NC(=O)NCCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000157178514 545710621 /nfs/dbraw/zinc/71/06/21/545710621.db2.gz AZVIJUKOWOYGBG-PXNSSMCTSA-N 1 3 358.530 2.463 10 0 FEAEHO CC(C)[N@@H+]1C[C@H](NC(=O)NCCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000157178514 545710623 /nfs/dbraw/zinc/71/06/23/545710623.db2.gz AZVIJUKOWOYGBG-PXNSSMCTSA-N 1 3 358.530 2.463 10 0 FEAEHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000248764420 549497774 /nfs/dbraw/zinc/49/77/74/549497774.db2.gz NGAZUVHKGPAPSV-VQIMIIECSA-N 1 3 374.529 2.312 10 0 FEAEHO [NH3+]C1(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCOCC1 ZINC000261929914 549771162 /nfs/dbraw/zinc/77/11/62/549771162.db2.gz WBHILSRUBWTTJS-UHFFFAOYSA-N 1 3 365.905 2.176 10 0 FEAEHO CN(CC(=O)NC1CCCC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128075 543204648 /nfs/dbraw/zinc/20/46/48/543204648.db2.gz UMFLNXLIXCAOMS-NRFANRHFSA-N 1 3 373.541 2.423 10 0 FEAEHO C[C@@H](CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)[N@H+](C)C1CC1 ZINC000190707499 328226314 /nfs/dbraw/zinc/22/63/14/328226314.db2.gz TVBXXXGBVWGPJX-FUHWJXTLSA-N 1 3 359.518 2.028 10 0 FEAEHO C[C@@H](CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000190707499 328226316 /nfs/dbraw/zinc/22/63/16/328226316.db2.gz TVBXXXGBVWGPJX-FUHWJXTLSA-N 1 3 359.518 2.028 10 0 FEAEHO C[C@H]([NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)NC(C)(C)C ZINC000112549950 325790367 /nfs/dbraw/zinc/79/03/67/325790367.db2.gz RTYVTSRNPUQRNU-LPHOPBHVSA-N 1 3 361.530 2.325 10 0 FEAEHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccccc1 ZINC000117050391 326048918 /nfs/dbraw/zinc/04/89/18/326048918.db2.gz QILYGTJSVQXUAZ-WMZOPIPTSA-N 1 3 362.518 2.088 10 0 FEAEHO COc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000170862288 327103422 /nfs/dbraw/zinc/10/34/22/327103422.db2.gz MAVINDGWSHYQFR-PKOBYXMFSA-N 1 3 360.502 2.178 10 0 FEAEHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)c(C)c2)CC1 ZINC000170874734 327104580 /nfs/dbraw/zinc/10/45/80/327104580.db2.gz SXRVQPLUHLEBMM-GOSISDBHSA-N 1 3 359.518 2.305 10 0 FEAEHO CC(C)N1CCO[C@H](CN2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000174738817 327347261 /nfs/dbraw/zinc/34/72/61/327347261.db2.gz TWZDPXCIBYVEOO-GOSISDBHSA-N 1 3 354.498 2.466 10 0 FEAEHO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000180621311 547143674 /nfs/dbraw/zinc/14/36/74/547143674.db2.gz IVDZZXAZWNVRHD-RDJZCZTQSA-N 1 3 357.502 2.447 10 0 FEAEHO CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180621311 547143678 /nfs/dbraw/zinc/14/36/78/547143678.db2.gz IVDZZXAZWNVRHD-RDJZCZTQSA-N 1 3 357.502 2.447 10 0 FEAEHO CN1CCC[C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[C@@H]1c1cccs1 ZINC000246797864 549215402 /nfs/dbraw/zinc/21/54/02/549215402.db2.gz AWAVEDPJYUPQLL-ZMSDIMECSA-N 1 3 350.532 2.477 10 0 FEAEHO CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000247053502 549273668 /nfs/dbraw/zinc/27/36/68/549273668.db2.gz IJQYLXBBWOEJFW-IEBWSBKVSA-N 1 3 366.550 2.002 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000247185521 549295824 /nfs/dbraw/zinc/29/58/24/549295824.db2.gz LCXRCEDBRDFZHD-XLIONFOSSA-N 1 3 356.514 2.313 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000247185521 549295827 /nfs/dbraw/zinc/29/58/27/549295827.db2.gz LCXRCEDBRDFZHD-XLIONFOSSA-N 1 3 356.514 2.313 10 0 FEAEHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649305151 677329133 /nfs/dbraw/zinc/32/91/33/677329133.db2.gz GPSUODOOHCYZRM-SJORKVTESA-N 1 3 351.441 2.402 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000247388305 549326734 /nfs/dbraw/zinc/32/67/34/549326734.db2.gz QFDODSOSQMXESP-SJLPKXTDSA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000247388305 549326738 /nfs/dbraw/zinc/32/67/38/549326738.db2.gz QFDODSOSQMXESP-SJLPKXTDSA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)OC[C@@H](O)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000123113809 543742907 /nfs/dbraw/zinc/74/29/07/543742907.db2.gz XLTOMJROYMAUHQ-SFTDATJTSA-N 1 3 364.530 2.150 10 0 FEAEHO CC(C)OC[C@@H](O)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000123113809 543742909 /nfs/dbraw/zinc/74/29/09/543742909.db2.gz XLTOMJROYMAUHQ-SFTDATJTSA-N 1 3 364.530 2.150 10 0 FEAEHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)CC1 ZINC000190591798 328218529 /nfs/dbraw/zinc/21/85/29/328218529.db2.gz JKFKJMZMBGCORG-IBGZPJMESA-N 1 3 358.530 2.482 10 0 FEAEHO CC(C)CNC(=O)[C@@H](C)[NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000112549988 325790330 /nfs/dbraw/zinc/79/03/30/325790330.db2.gz GTEFEUNLFWHUIE-YLJYHZDGSA-N 1 3 361.530 2.182 10 0 FEAEHO COCCN1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000120823580 326291018 /nfs/dbraw/zinc/29/10/18/326291018.db2.gz RMKZHYIDRPKPRJ-LJQANCHMSA-N 1 3 374.573 2.370 10 0 FEAEHO CC(C)N1CC[C@H](N(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175191684 327378782 /nfs/dbraw/zinc/37/87/82/327378782.db2.gz KPGUYGSNACKWOT-SFTDATJTSA-N 1 3 373.541 2.373 10 0 FEAEHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000261888842 328827160 /nfs/dbraw/zinc/82/71/60/328827160.db2.gz VGDCMRXVTSCLAS-FQEVSTJZSA-N 1 3 359.514 2.289 10 0 FEAEHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000176903810 546505316 /nfs/dbraw/zinc/50/53/16/546505316.db2.gz XCMWSEOUNVQZKM-IBGZPJMESA-N 1 3 374.529 2.410 10 0 FEAEHO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000180621347 547143847 /nfs/dbraw/zinc/14/38/47/547143847.db2.gz IVDZZXAZWNVRHD-WBVHZDCISA-N 1 3 357.502 2.447 10 0 FEAEHO CCc1nc2n(n1)C[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180621347 547143852 /nfs/dbraw/zinc/14/38/52/547143852.db2.gz IVDZZXAZWNVRHD-WBVHZDCISA-N 1 3 357.502 2.447 10 0 FEAEHO CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000247053525 549273710 /nfs/dbraw/zinc/27/37/10/549273710.db2.gz IJQYLXBBWOEJFW-PKOBYXMFSA-N 1 3 366.550 2.002 10 0 FEAEHO CCN1CCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247063447 549274968 /nfs/dbraw/zinc/27/49/68/549274968.db2.gz XOEQKVRDTDRSLG-NHCUHLMSSA-N 1 3 373.541 2.423 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000247185504 549295806 /nfs/dbraw/zinc/29/58/06/549295806.db2.gz LCXRCEDBRDFZHD-PXNSSMCTSA-N 1 3 356.514 2.313 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000247185504 549295810 /nfs/dbraw/zinc/29/58/10/549295810.db2.gz LCXRCEDBRDFZHD-PXNSSMCTSA-N 1 3 356.514 2.313 10 0 FEAEHO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247809016 549382778 /nfs/dbraw/zinc/38/27/78/549382778.db2.gz UGRHBIDBWQSTCK-NTDBWNAOSA-N 1 3 353.551 2.094 10 0 FEAEHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000251948238 549659231 /nfs/dbraw/zinc/65/92/31/549659231.db2.gz ULTFHNIDPZWAFR-RTBURBONSA-N 1 3 371.529 2.029 10 0 FEAEHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000251948238 549659235 /nfs/dbraw/zinc/65/92/35/549659235.db2.gz ULTFHNIDPZWAFR-RTBURBONSA-N 1 3 371.529 2.029 10 0 FEAEHO COC(=O)COc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261741449 549749551 /nfs/dbraw/zinc/74/95/51/549749551.db2.gz PGDMWDJXAODBDQ-QUCCMNQESA-N 1 3 354.450 2.413 10 0 FEAEHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000261956992 549773842 /nfs/dbraw/zinc/77/38/42/549773842.db2.gz PCQGQNZBAGNVKI-BHDDXSALSA-N 1 3 372.557 2.393 10 0 FEAEHO CC(C)c1nc(CN(C)C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)cs1 ZINC000072410013 670495764 /nfs/dbraw/zinc/49/57/64/670495764.db2.gz AJDZZVDYEHBJLF-OAHLLOKOSA-N 1 3 350.532 2.299 10 0 FEAEHO CN(CC(=O)NCC1CCC1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000108867569 543306396 /nfs/dbraw/zinc/30/63/96/543306396.db2.gz RWOCGVJQBRHINB-OAQYLSRUSA-N 1 3 373.541 2.280 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc(Br)cn2)CC1 ZINC000171960660 327172864 /nfs/dbraw/zinc/17/28/64/327172864.db2.gz HSPPHXOONZKKHA-CYBMUJFWSA-N 1 3 356.308 2.369 10 0 FEAEHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CCC[N@H+](CC)C3)c2)CC1 ZINC000184910021 547898441 /nfs/dbraw/zinc/89/84/41/547898441.db2.gz HLGOAQVYEFGLFF-SFHVURJKSA-N 1 3 359.518 2.434 10 0 FEAEHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CCC[N@@H+](CC)C3)c2)CC1 ZINC000184910021 547898445 /nfs/dbraw/zinc/89/84/45/547898445.db2.gz HLGOAQVYEFGLFF-SFHVURJKSA-N 1 3 359.518 2.434 10 0 FEAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000245469277 548930104 /nfs/dbraw/zinc/93/01/04/548930104.db2.gz LREXUHZKGINITQ-OALUTQOASA-N 1 3 366.550 2.144 10 0 FEAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000245469277 548930107 /nfs/dbraw/zinc/93/01/07/548930107.db2.gz LREXUHZKGINITQ-OALUTQOASA-N 1 3 366.550 2.144 10 0 FEAEHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)cc2)C1 ZINC000246036823 549039371 /nfs/dbraw/zinc/03/93/71/549039371.db2.gz WJJHPJHLMUAXSN-VQIMIIECSA-N 1 3 372.513 2.020 10 0 FEAEHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](N(C)C)C3)cc2)C1 ZINC000246036823 549039373 /nfs/dbraw/zinc/03/93/73/549039373.db2.gz WJJHPJHLMUAXSN-VQIMIIECSA-N 1 3 372.513 2.020 10 0 FEAEHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCN2CCC[C@H]2C1 ZINC000246696804 549191062 /nfs/dbraw/zinc/19/10/62/549191062.db2.gz AROAXUWFEJQGOE-UXHICEINSA-N 1 3 356.514 2.041 10 0 FEAEHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCN2CCC[C@H]2C1 ZINC000246696804 549191067 /nfs/dbraw/zinc/19/10/67/549191067.db2.gz AROAXUWFEJQGOE-UXHICEINSA-N 1 3 356.514 2.041 10 0 FEAEHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247809022 549382933 /nfs/dbraw/zinc/38/29/33/549382933.db2.gz UGRHBIDBWQSTCK-SFNKJDCFSA-N 1 3 353.551 2.094 10 0 FEAEHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000248629620 549471475 /nfs/dbraw/zinc/47/14/75/549471475.db2.gz WAVGIFGLJCSKGV-UYAOXDASSA-N 1 3 359.514 2.186 10 0 FEAEHO OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@H]3[C@@H]3COCCN3)c2)CC1 ZINC000261874599 549765039 /nfs/dbraw/zinc/76/50/39/549765039.db2.gz DPEFXSZBYABXLA-VSKRKVRLSA-N 1 3 373.541 2.460 10 0 FEAEHO O=C(C[C@@H]1CSCCN1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328625110 210114218 /nfs/dbraw/zinc/11/42/18/210114218.db2.gz CSZOERSHWLLDGQ-HZPDHXFCSA-N 1 3 365.568 2.314 10 0 FEAEHO CN(CC(=O)NC(C)(C)C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128125 543206019 /nfs/dbraw/zinc/20/60/19/543206019.db2.gz DPIGSIZUKHDRPY-IBGZPJMESA-N 1 3 361.530 2.279 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000106124992 543204851 /nfs/dbraw/zinc/20/48/51/543204851.db2.gz SPTVJESGLKNMGR-VZDIDWBNSA-N 1 3 353.551 2.094 10 0 FEAEHO Cc1c(CCCN2CCN(C)CC2)cc(Cl)cc1N1CC[NH2+]CC1 ZINC000150277163 544461726 /nfs/dbraw/zinc/46/17/26/544461726.db2.gz VUXMSFJFJYGLMZ-UHFFFAOYSA-N 1 3 350.938 2.238 10 0 FEAEHO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000190915549 328240020 /nfs/dbraw/zinc/24/00/20/328240020.db2.gz OGEPESRBBLFLFG-ZJRDLVKKSA-N 1 3 352.519 2.279 10 0 FEAEHO CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000190915549 328240021 /nfs/dbraw/zinc/24/00/21/328240021.db2.gz OGEPESRBBLFLFG-ZJRDLVKKSA-N 1 3 352.519 2.279 10 0 FEAEHO CCOC(=O)C1CCC(O)(CN2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000190915549 328240022 /nfs/dbraw/zinc/24/00/22/328240022.db2.gz OGEPESRBBLFLFG-ZJRDLVKKSA-N 1 3 352.519 2.279 10 0 FEAEHO CC1CCN(CC[NH+]2CCC(N(C)CC(=O)OC(C)(C)C)CC2)CC1 ZINC000191983912 328291750 /nfs/dbraw/zinc/29/17/50/328291750.db2.gz KBYFOBVLZMJJGU-UHFFFAOYSA-N 1 3 353.551 2.456 10 0 FEAEHO CCN(CC)C(=O)[C@H](C)[NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000112550025 325790290 /nfs/dbraw/zinc/79/02/90/325790290.db2.gz AQWHIPFPBQEPQZ-FXAWDEMLSA-N 1 3 361.530 2.279 10 0 FEAEHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905502 327169337 /nfs/dbraw/zinc/16/93/37/327169337.db2.gz QGSMYJPEVDVVRH-DLBZAZTESA-N 1 3 362.543 2.450 10 0 FEAEHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171905502 327169339 /nfs/dbraw/zinc/16/93/39/327169339.db2.gz QGSMYJPEVDVVRH-DLBZAZTESA-N 1 3 362.543 2.450 10 0 FEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000179751923 547007662 /nfs/dbraw/zinc/00/76/62/547007662.db2.gz KXRMYHPZYFUABS-IBGZPJMESA-N 1 3 359.518 2.424 10 0 FEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000179751923 547007666 /nfs/dbraw/zinc/00/76/66/547007666.db2.gz KXRMYHPZYFUABS-IBGZPJMESA-N 1 3 359.518 2.424 10 0 FEAEHO CCC[C@@H](C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000245639920 548963467 /nfs/dbraw/zinc/96/34/67/548963467.db2.gz AUBSNJJPWDWORO-PMACEKPBSA-N 1 3 360.546 2.212 10 0 FEAEHO Cc1ccc(N2CC[C@H](N(C)CC3CC[NH+](C[C@H](C)O)CC3)C2=O)cc1 ZINC000246776347 549209095 /nfs/dbraw/zinc/20/90/95/549209095.db2.gz OJKKRFNSBNXRRS-PXNSSMCTSA-N 1 3 359.514 2.125 10 0 FEAEHO CN(C)C(=O)COc1ccccc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261632661 549737471 /nfs/dbraw/zinc/73/74/71/549737471.db2.gz FOTLVWGQAJTNKH-UXHICEINSA-N 1 3 367.493 2.328 10 0 FEAEHO CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000653448417 677531500 /nfs/dbraw/zinc/53/15/00/677531500.db2.gz RVJJLRLLDRNWAR-ARFHVFGLSA-N 1 3 355.404 2.117 10 0 FEAEHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCOc4ccccc43)CC2)CC1 ZINC000051759628 540443261 /nfs/dbraw/zinc/44/32/61/540443261.db2.gz LFIVQWFAFDOEQJ-LJQANCHMSA-N 1 3 372.513 2.368 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000113607048 543492833 /nfs/dbraw/zinc/49/28/33/543492833.db2.gz DALKTWVRUWDLNO-FUHWJXTLSA-N 1 3 360.502 2.005 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000113607048 543492835 /nfs/dbraw/zinc/49/28/35/543492835.db2.gz DALKTWVRUWDLNO-FUHWJXTLSA-N 1 3 360.502 2.005 10 0 FEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000152405952 544649071 /nfs/dbraw/zinc/64/90/71/544649071.db2.gz CHWIZYQSTCMYDD-QGZVFWFLSA-N 1 3 350.507 2.473 10 0 FEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000152405952 544649079 /nfs/dbraw/zinc/64/90/79/544649079.db2.gz CHWIZYQSTCMYDD-QGZVFWFLSA-N 1 3 350.507 2.473 10 0 FEAEHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000190694988 328225661 /nfs/dbraw/zinc/22/56/61/328225661.db2.gz ULTFHNIDPZWAFR-OALUTQOASA-N 1 3 371.529 2.029 10 0 FEAEHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000190694988 328225663 /nfs/dbraw/zinc/22/56/63/328225663.db2.gz ULTFHNIDPZWAFR-OALUTQOASA-N 1 3 371.529 2.029 10 0 FEAEHO CCN1CCN(c2ccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)c(C)c2)CC1 ZINC000171806954 327162790 /nfs/dbraw/zinc/16/27/90/327162790.db2.gz PSFQMQDMRRVGSN-IBGZPJMESA-N 1 3 371.529 2.449 10 0 FEAEHO CCN1CCN(c2ccc(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)c(C)c2)CC1 ZINC000171806954 327162792 /nfs/dbraw/zinc/16/27/92/327162792.db2.gz PSFQMQDMRRVGSN-IBGZPJMESA-N 1 3 371.529 2.449 10 0 FEAEHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247567633 549359905 /nfs/dbraw/zinc/35/99/05/549359905.db2.gz GUSGBMIIHABZFG-JENIJYKNSA-N 1 3 353.551 2.191 10 0 FEAEHO CCCNC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247600529 549364739 /nfs/dbraw/zinc/36/47/39/549364739.db2.gz KYMJPRJSFHINQG-FXAWDEMLSA-N 1 3 361.530 2.279 10 0 FEAEHO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000248656294 549478606 /nfs/dbraw/zinc/47/86/06/549478606.db2.gz DMBRDHLZQQQMJE-PMACEKPBSA-N 1 3 374.529 2.061 10 0 FEAEHO CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000248656294 549478612 /nfs/dbraw/zinc/47/86/12/549478612.db2.gz DMBRDHLZQQQMJE-PMACEKPBSA-N 1 3 374.529 2.061 10 0 FEAEHO CN1CCNC[C@H]1c1noc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000263228046 549887314 /nfs/dbraw/zinc/88/73/14/549887314.db2.gz NAOLIWSPUJQPLH-RDJZCZTQSA-N 1 3 359.449 2.164 10 0 FEAEHO CN1CC[NH2+]C[C@H]1c1noc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000263228046 549887316 /nfs/dbraw/zinc/88/73/16/549887316.db2.gz NAOLIWSPUJQPLH-RDJZCZTQSA-N 1 3 359.449 2.164 10 0 FEAEHO CCN(CC)C(=O)CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128120 543205810 /nfs/dbraw/zinc/20/58/10/543205810.db2.gz RPNYZNHFEMLXHT-FQEVSTJZSA-N 1 3 361.530 2.232 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000187682590 328039457 /nfs/dbraw/zinc/03/94/57/328039457.db2.gz DXOIAWGJRQKARN-CVEARBPZSA-N 1 3 368.543 2.176 10 0 FEAEHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000192785757 328339574 /nfs/dbraw/zinc/33/95/74/328339574.db2.gz ACQMMZYNMLWASL-QGZVFWFLSA-N 1 3 367.559 2.157 10 0 FEAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000081292967 325168601 /nfs/dbraw/zinc/16/86/01/325168601.db2.gz MZIVUFCLEHKAAS-LJQANCHMSA-N 1 3 360.546 2.291 10 0 FEAEHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000121821588 326370070 /nfs/dbraw/zinc/37/00/70/326370070.db2.gz BHNHJPPEDBNUIG-LMMKCTJWSA-N 1 3 358.530 2.489 10 0 FEAEHO CC1CC[NH+](C2CCC(NC(=O)N3CCO[C@@H](CN(C)C)C3)CC2)CC1 ZINC000152743318 326715441 /nfs/dbraw/zinc/71/54/41/326715441.db2.gz IWJBPRCGPDZFIX-ACBHZAAOSA-N 1 3 366.550 2.002 10 0 FEAEHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCN2CCC[C@@H]2C1 ZINC000171900333 327168703 /nfs/dbraw/zinc/16/87/03/327168703.db2.gz DSALQISPHNPPHK-HXUWFJFHSA-N 1 3 356.514 2.183 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000157828890 545789604 /nfs/dbraw/zinc/78/96/04/545789604.db2.gz HNCDPSJEBJRHGR-APWZRJJASA-N 1 3 362.518 2.155 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000157828890 545789612 /nfs/dbraw/zinc/78/96/12/545789612.db2.gz HNCDPSJEBJRHGR-APWZRJJASA-N 1 3 362.518 2.155 10 0 FEAEHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C12CCOCC2 ZINC000186437356 548135453 /nfs/dbraw/zinc/13/54/53/548135453.db2.gz UJOJURBWQOQWBS-ZWKOTPCHSA-N 1 3 363.502 2.086 10 0 FEAEHO CC[C@H](C)NC(=O)CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247807305 549381924 /nfs/dbraw/zinc/38/19/24/549381924.db2.gz SYSHJKURENFJSE-FXAWDEMLSA-N 1 3 361.530 2.279 10 0 FEAEHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C12CCOCC2 ZINC000249054381 549543221 /nfs/dbraw/zinc/54/32/21/549543221.db2.gz XHSQQFZMKKDHAV-QHAWAJNXSA-N 1 3 374.525 2.317 10 0 FEAEHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCOc4ccccc43)CC2)CC1 ZINC000051759630 540443606 /nfs/dbraw/zinc/44/36/06/540443606.db2.gz LFIVQWFAFDOEQJ-IBGZPJMESA-N 1 3 372.513 2.368 10 0 FEAEHO OC[C@H]1CCCC[N@@H+]1CCNc1nc(-c2ccccc2)nc2c1CCNC2 ZINC000067724049 221276910 /nfs/dbraw/zinc/27/69/10/221276910.db2.gz GNVRKIXFMUUNSU-QGZVFWFLSA-N 1 3 367.497 2.048 10 0 FEAEHO OC[C@H]1CCCC[N@H+]1CCNc1nc(-c2ccccc2)nc2c1CCNC2 ZINC000067724049 221276914 /nfs/dbraw/zinc/27/69/14/221276914.db2.gz GNVRKIXFMUUNSU-QGZVFWFLSA-N 1 3 367.497 2.048 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000121298517 326327963 /nfs/dbraw/zinc/32/79/63/326327963.db2.gz UYFVPONQXJKIKF-UTKZUKDTSA-N 1 3 373.541 2.349 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000121298517 326327966 /nfs/dbraw/zinc/32/79/66/326327966.db2.gz UYFVPONQXJKIKF-UTKZUKDTSA-N 1 3 373.541 2.349 10 0 FEAEHO CC[C@H](O)CN1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000123560549 326435698 /nfs/dbraw/zinc/43/56/98/326435698.db2.gz LRNWFTQQKMOFTL-NRFANRHFSA-N 1 3 374.573 2.106 10 0 FEAEHO CC[C@H](C)NC(=O)CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000170942107 327108930 /nfs/dbraw/zinc/10/89/30/327108930.db2.gz SYSHJKURENFJSE-PXNSSMCTSA-N 1 3 361.530 2.279 10 0 FEAEHO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000175191292 327378990 /nfs/dbraw/zinc/37/89/90/327378990.db2.gz BIQWNHPVQVBNCT-XLIONFOSSA-N 1 3 361.530 2.277 10 0 FEAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176226944 327442034 /nfs/dbraw/zinc/44/20/34/327442034.db2.gz JIFSADWJNBBNIO-GOSISDBHSA-N 1 3 356.555 2.151 10 0 FEAEHO CC[NH+](CC)CCOc1ccc(-c2nc([C@@H]3CNCCN3C)no2)cc1 ZINC000263129317 328918169 /nfs/dbraw/zinc/91/81/69/328918169.db2.gz BLSQMFQWFFZJIP-KRWDZBQOSA-N 1 3 359.474 2.033 10 0 FEAEHO CCc1oc(C(=O)OC)cc1CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000177133384 546552100 /nfs/dbraw/zinc/55/21/00/546552100.db2.gz NWVACGXZWPPOAP-CQSZACIVSA-N 1 3 352.475 2.153 10 0 FEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000247333621 549320730 /nfs/dbraw/zinc/32/07/30/549320730.db2.gz XBRLOWKOCLSTJN-GUDVDZBRSA-N 1 3 368.566 2.030 10 0 FEAEHO CCN1CCC[C@@H]1CN(Cc1ccon1)CC1CC[NH+](CCOC)CC1 ZINC000020999828 220348023 /nfs/dbraw/zinc/34/80/23/220348023.db2.gz AXECRNWGQBXZON-HXUWFJFHSA-N 1 3 364.534 2.319 10 0 FEAEHO OC[C@@H]1CCCC[N@@H+]1CCNc1nc(-c2ccccc2)nc2c1CCNC2 ZINC000067724051 221276238 /nfs/dbraw/zinc/27/62/38/221276238.db2.gz GNVRKIXFMUUNSU-KRWDZBQOSA-N 1 3 367.497 2.048 10 0 FEAEHO OC[C@@H]1CCCC[N@H+]1CCNc1nc(-c2ccccc2)nc2c1CCNC2 ZINC000067724051 221276239 /nfs/dbraw/zinc/27/62/39/221276239.db2.gz GNVRKIXFMUUNSU-KRWDZBQOSA-N 1 3 367.497 2.048 10 0 FEAEHO CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccccc1 ZINC000117025994 543621530 /nfs/dbraw/zinc/62/15/30/543621530.db2.gz ORJPXLQDLYWGES-OALUTQOASA-N 1 3 362.518 2.042 10 0 FEAEHO CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccccc1 ZINC000117025997 543622044 /nfs/dbraw/zinc/62/20/44/543622044.db2.gz ORJPXLQDLYWGES-RBUKOAKNSA-N 1 3 362.518 2.042 10 0 FEAEHO CN(C)C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000117028074 326047525 /nfs/dbraw/zinc/04/75/25/326047525.db2.gz SEQCIJNRNRLDBK-HXUWFJFHSA-N 1 3 374.529 2.145 10 0 FEAEHO C[C@@H](O)CN1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000120630638 326274029 /nfs/dbraw/zinc/27/40/29/326274029.db2.gz DTVGBRVNSGRNID-RTBURBONSA-N 1 3 374.573 2.104 10 0 FEAEHO COCCN1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000120823719 326291117 /nfs/dbraw/zinc/29/11/17/326291117.db2.gz RMKZHYIDRPKPRJ-IBGZPJMESA-N 1 3 374.573 2.370 10 0 FEAEHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(OC)c1 ZINC000170827388 327101134 /nfs/dbraw/zinc/10/11/34/327101134.db2.gz KYVWIGOAJNBCOD-HKUYNNGSSA-N 1 3 362.518 2.424 10 0 FEAEHO CC[N@@H+]1CCC[C@@H](NC(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000174645116 327341223 /nfs/dbraw/zinc/34/12/23/327341223.db2.gz ILTSYXDYLHXMIY-LJQANCHMSA-N 1 3 358.530 2.108 10 0 FEAEHO CC[N@H+]1CCC[C@@H](NC(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000174645116 327341225 /nfs/dbraw/zinc/34/12/25/327341225.db2.gz ILTSYXDYLHXMIY-LJQANCHMSA-N 1 3 358.530 2.108 10 0 FEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000246441317 549133291 /nfs/dbraw/zinc/13/32/91/549133291.db2.gz UCXCYGHMAKHRMK-VAMGGRTRSA-N 1 3 358.530 2.428 10 0 FEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000246441317 549133295 /nfs/dbraw/zinc/13/32/95/549133295.db2.gz UCXCYGHMAKHRMK-VAMGGRTRSA-N 1 3 358.530 2.428 10 0 FEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000246441325 549134266 /nfs/dbraw/zinc/13/42/66/549134266.db2.gz UCXCYGHMAKHRMK-ZCNNSNEGSA-N 1 3 358.530 2.428 10 0 FEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000246441325 549134269 /nfs/dbraw/zinc/13/42/69/549134269.db2.gz UCXCYGHMAKHRMK-ZCNNSNEGSA-N 1 3 358.530 2.428 10 0 FEAEHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000251948235 549659277 /nfs/dbraw/zinc/65/92/77/549659277.db2.gz ULTFHNIDPZWAFR-MOPGFXCFSA-N 1 3 371.529 2.029 10 0 FEAEHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000251948235 549659282 /nfs/dbraw/zinc/65/92/82/549659282.db2.gz ULTFHNIDPZWAFR-MOPGFXCFSA-N 1 3 371.529 2.029 10 0 FEAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)C2)cc1 ZINC000261992571 549777925 /nfs/dbraw/zinc/77/79/25/549777925.db2.gz SXIFOMMUWZALCP-MBDNFAEBSA-N 1 3 357.542 2.298 10 0 FEAEHO CN(CC(=O)N1CCCCC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128337 543205937 /nfs/dbraw/zinc/20/59/37/543205937.db2.gz OFPFATFAYIZLNQ-NRFANRHFSA-N 1 3 373.541 2.376 10 0 FEAEHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000150778459 544469553 /nfs/dbraw/zinc/46/95/53/544469553.db2.gz KZRVHIUUIMCLNZ-QFBILLFUSA-N 1 3 374.529 2.312 10 0 FEAEHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000189471823 328150185 /nfs/dbraw/zinc/15/01/85/328150185.db2.gz NGAZUVHKGPAPSV-LPHOPBHVSA-N 1 3 374.529 2.312 10 0 FEAEHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCN2CCC[C@H]2C1 ZINC000171900334 327168617 /nfs/dbraw/zinc/16/86/17/327168617.db2.gz DSALQISPHNPPHK-FQEVSTJZSA-N 1 3 356.514 2.183 10 0 FEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176629546 546470143 /nfs/dbraw/zinc/47/01/43/546470143.db2.gz WNDBRJDUUYMHRP-GOSISDBHSA-N 1 3 354.539 2.002 10 0 FEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176629546 546470147 /nfs/dbraw/zinc/47/01/47/546470147.db2.gz WNDBRJDUUYMHRP-GOSISDBHSA-N 1 3 354.539 2.002 10 0 FEAEHO c1nc2n(n1)C[C@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000183150199 547609887 /nfs/dbraw/zinc/60/98/87/547609887.db2.gz YYIZJBVCOGJZGD-NMLBUPMWSA-N 1 3 351.498 2.483 10 0 FEAEHO COC(=O)c1oc([C@@H](C)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000245616922 548958674 /nfs/dbraw/zinc/95/86/74/548958674.db2.gz MUKHOHHCRXVSAO-LSDHHAIUSA-N 1 3 352.475 2.460 10 0 FEAEHO CN1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[C@H]1c1cccs1 ZINC000246797818 549215825 /nfs/dbraw/zinc/21/58/25/549215825.db2.gz AWAVEDPJYUPQLL-INMHGKMJSA-N 1 3 350.532 2.477 10 0 FEAEHO CC[C@@H](C)NC(=O)CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247807307 549382139 /nfs/dbraw/zinc/38/21/39/549382139.db2.gz SYSHJKURENFJSE-YLJYHZDGSA-N 1 3 361.530 2.279 10 0 FEAEHO CCC(=O)N1C[C@H](C[NH+](C)C)[C@@H](C2CCN(Cc3ccccn3)CC2)C1 ZINC000257196999 549716939 /nfs/dbraw/zinc/71/69/39/549716939.db2.gz ZGQKPWFKWHPTED-AZUAARDMSA-N 1 3 358.530 2.340 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000106126514 543204700 /nfs/dbraw/zinc/20/47/00/543204700.db2.gz OIKZUCHGFHPRKG-SJORKVTESA-N 1 3 353.551 2.096 10 0 FEAEHO Cc1ccc(CNC(=O)[C@H](C)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000106125720 543204921 /nfs/dbraw/zinc/20/49/21/543204921.db2.gz ILDVCOIPRHEGJR-MSOLQXFVSA-N 1 3 361.530 2.024 10 0 FEAEHO CC(C)CNC(=O)[C@@H](C)[NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000112549985 543451298 /nfs/dbraw/zinc/45/12/98/543451298.db2.gz GTEFEUNLFWHUIE-XLIONFOSSA-N 1 3 361.530 2.182 10 0 FEAEHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000190708161 328226550 /nfs/dbraw/zinc/22/65/50/328226550.db2.gz JXFJKLVEOZQQGE-IBGZPJMESA-N 1 3 373.545 2.419 10 0 FEAEHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000190708161 328226551 /nfs/dbraw/zinc/22/65/51/328226551.db2.gz JXFJKLVEOZQQGE-IBGZPJMESA-N 1 3 373.545 2.419 10 0 FEAEHO CC(C)CNC(=O)[C@H](C)[NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000112549990 325790442 /nfs/dbraw/zinc/79/04/42/325790442.db2.gz GTEFEUNLFWHUIE-FXAWDEMLSA-N 1 3 361.530 2.182 10 0 FEAEHO Cc1ccc(N2CC[C@@H](N(C)CC3CC[NH+](C[C@@H](C)O)CC3)C2=O)cc1 ZINC000119184545 326135435 /nfs/dbraw/zinc/13/54/35/326135435.db2.gz OJKKRFNSBNXRRS-YLJYHZDGSA-N 1 3 359.514 2.125 10 0 FEAEHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)cc2)C1 ZINC000170844819 327102182 /nfs/dbraw/zinc/10/21/82/327102182.db2.gz WJJHPJHLMUAXSN-APWZRJJASA-N 1 3 372.513 2.020 10 0 FEAEHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)cc2)C1 ZINC000170844819 327102184 /nfs/dbraw/zinc/10/21/84/327102184.db2.gz WJJHPJHLMUAXSN-APWZRJJASA-N 1 3 372.513 2.020 10 0 FEAEHO CC[C@@H](C)NC(=O)CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000170942104 327108875 /nfs/dbraw/zinc/10/88/75/327108875.db2.gz SYSHJKURENFJSE-XLIONFOSSA-N 1 3 361.530 2.279 10 0 FEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173997793 327300458 /nfs/dbraw/zinc/30/04/58/327300458.db2.gz FBINPICSCMGWCM-GOSISDBHSA-N 1 3 368.566 2.249 10 0 FEAEHO C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@H]3[C@H]3COCCN3)nc2)CC1 ZINC000262036067 328837196 /nfs/dbraw/zinc/83/71/96/328837196.db2.gz XYGYJKCPXOZPIO-VAMGGRTRSA-N 1 3 373.545 2.181 10 0 FEAEHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C12CCOCC2 ZINC000186499226 548144580 /nfs/dbraw/zinc/14/45/80/548144580.db2.gz XHSQQFZMKKDHAV-PCCBWWKXSA-N 1 3 374.525 2.317 10 0 FEAEHO CCN1CCC[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000194142243 548441064 /nfs/dbraw/zinc/44/10/64/548441064.db2.gz ZXXCMZCHFXKDPV-FQEVSTJZSA-N 1 3 358.530 2.477 10 0 FEAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000246779122 549210348 /nfs/dbraw/zinc/21/03/48/549210348.db2.gz BDUCJJOBULNFSR-FPOVZHCZSA-N 1 3 370.541 2.284 10 0 FEAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000246779122 549210350 /nfs/dbraw/zinc/21/03/50/549210350.db2.gz BDUCJJOBULNFSR-FPOVZHCZSA-N 1 3 370.541 2.284 10 0 FEAEHO Cc1nccn1C[C@H]1CCCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249296656 549578000 /nfs/dbraw/zinc/57/80/00/549578000.db2.gz MOAMDYOCQVFJBR-WOJBJXKFSA-N 1 3 369.513 2.075 10 0 FEAEHO [NH3+][C@@H]1c2ccccc2C2(CCN(Cc3ccc4c(c3)OCO4)CC2)[C@H]1O ZINC000072163481 541793194 /nfs/dbraw/zinc/79/31/94/541793194.db2.gz NKIYQXPIOVRZQJ-UXHICEINSA-N 1 3 352.434 2.323 10 0 FEAEHO CC(C)CNC(=O)CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128137 543205981 /nfs/dbraw/zinc/20/59/81/543205981.db2.gz AWMZNULSBPEYQM-FQEVSTJZSA-N 1 3 361.530 2.136 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000113589089 543491297 /nfs/dbraw/zinc/49/12/97/543491297.db2.gz NHKUNCHTTIRYHT-SJLPKXTDSA-N 1 3 360.502 2.005 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000113589089 543491300 /nfs/dbraw/zinc/49/13/00/543491300.db2.gz NHKUNCHTTIRYHT-SJLPKXTDSA-N 1 3 360.502 2.005 10 0 FEAEHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000189471802 328150205 /nfs/dbraw/zinc/15/02/05/328150205.db2.gz NGAZUVHKGPAPSV-QFBILLFUSA-N 1 3 374.529 2.312 10 0 FEAEHO CC[NH+](CC)CCNC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190678916 328224137 /nfs/dbraw/zinc/22/41/37/328224137.db2.gz NGTCOYXRBONDPE-INIZCTEOSA-N 1 3 367.563 2.257 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091232626 325382066 /nfs/dbraw/zinc/38/20/66/325382066.db2.gz PPAHLGKPFOITAH-VQIMIIECSA-N 1 3 357.502 2.176 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091232626 325382068 /nfs/dbraw/zinc/38/20/68/325382068.db2.gz PPAHLGKPFOITAH-VQIMIIECSA-N 1 3 357.502 2.176 10 0 FEAEHO NC(=O)[C@@H](NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000112549924 325789336 /nfs/dbraw/zinc/78/93/36/325789336.db2.gz POEQDBJYMWLKBZ-SFTDATJTSA-N 1 3 367.493 2.248 10 0 FEAEHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170829345 327101037 /nfs/dbraw/zinc/10/10/37/327101037.db2.gz DIXXTTOCTZJHBG-GOSISDBHSA-N 1 3 362.518 2.253 10 0 FEAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cncc(Br)c2)CC1 ZINC000170941752 327108903 /nfs/dbraw/zinc/10/89/03/327108903.db2.gz CBJFHPHPFVMLQN-ZDUSSCGKSA-N 1 3 356.308 2.369 10 0 FEAEHO O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171905461 327169271 /nfs/dbraw/zinc/16/92/71/327169271.db2.gz WWGTVMPXYFBIFZ-KRWDZBQOSA-N 1 3 362.543 2.450 10 0 FEAEHO O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171905461 327169272 /nfs/dbraw/zinc/16/92/72/327169272.db2.gz WWGTVMPXYFBIFZ-KRWDZBQOSA-N 1 3 362.543 2.450 10 0 FEAEHO C[C@H](C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)[NH+]1CCCCCC1 ZINC000173577237 327268123 /nfs/dbraw/zinc/26/81/23/327268123.db2.gz PBHVSURZQDXGNU-GOSISDBHSA-N 1 3 373.545 2.056 10 0 FEAEHO Cc1nccn1C[C@H]1CCCN1CC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178748700 546843604 /nfs/dbraw/zinc/84/36/04/546843604.db2.gz VPXSMZCPZKNGEW-BGYRXZFFSA-N 1 3 356.518 2.325 10 0 FEAEHO Cc1nccn1C[C@H]1CCCN1CC[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178748700 546843611 /nfs/dbraw/zinc/84/36/11/546843611.db2.gz VPXSMZCPZKNGEW-BGYRXZFFSA-N 1 3 356.518 2.325 10 0 FEAEHO Cc1nccn1C[C@H]1CCC[N@H+]1CCN1CCC[C@H]1Cn1ccnc1C ZINC000178748700 546843614 /nfs/dbraw/zinc/84/36/14/546843614.db2.gz VPXSMZCPZKNGEW-BGYRXZFFSA-N 1 3 356.518 2.325 10 0 FEAEHO Cc1nccn1C[C@H]1CCC[N@@H+]1CCN1CCC[C@H]1Cn1ccnc1C ZINC000178748700 546843619 /nfs/dbraw/zinc/84/36/19/546843619.db2.gz VPXSMZCPZKNGEW-BGYRXZFFSA-N 1 3 356.518 2.325 10 0 FEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248783780 549501439 /nfs/dbraw/zinc/50/14/39/549501439.db2.gz IDKYZTZSRQAXAP-JYBIWHBTSA-N 1 3 356.514 2.385 10 0 FEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248783780 549501443 /nfs/dbraw/zinc/50/14/43/549501443.db2.gz IDKYZTZSRQAXAP-JYBIWHBTSA-N 1 3 356.514 2.385 10 0 FEAEHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000252032643 549662211 /nfs/dbraw/zinc/66/22/11/549662211.db2.gz ZVGAEGZFXSYVKV-UFYCRDLUSA-N 1 3 373.545 2.418 10 0 FEAEHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000252032646 549662463 /nfs/dbraw/zinc/66/24/63/549662463.db2.gz ZVGAEGZFXSYVKV-ZCNNSNEGSA-N 1 3 373.545 2.418 10 0 FEAEHO O=C(C[C@H]1CSCCN1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328625111 223120270 /nfs/dbraw/zinc/12/02/70/223120270.db2.gz CSZOERSHWLLDGQ-JKSUJKDBSA-N 1 3 365.568 2.314 10 0 FEAEHO NC(=O)[C@H](NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000112549926 543451205 /nfs/dbraw/zinc/45/12/05/543451205.db2.gz POEQDBJYMWLKBZ-NHCUHLMSSA-N 1 3 367.493 2.248 10 0 FEAEHO CCCCNC(=O)[C@H](C)[NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000112550001 543451565 /nfs/dbraw/zinc/45/15/65/543451565.db2.gz UCCVCMVKCAWRCC-PXNSSMCTSA-N 1 3 361.530 2.326 10 0 FEAEHO CN(C)C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000128581488 544060949 /nfs/dbraw/zinc/06/09/49/544060949.db2.gz VXCNHHKSXGRZOL-LJQANCHMSA-N 1 3 359.514 2.441 10 0 FEAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190705898 328226300 /nfs/dbraw/zinc/22/63/00/328226300.db2.gz VKLIAPVYPFOYCT-IEBWSBKVSA-N 1 3 361.534 2.275 10 0 FEAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190705898 328226301 /nfs/dbraw/zinc/22/63/01/328226301.db2.gz VKLIAPVYPFOYCT-IEBWSBKVSA-N 1 3 361.534 2.275 10 0 FEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000164119022 327064900 /nfs/dbraw/zinc/06/49/00/327064900.db2.gz LMDQMWPNYMACFQ-DYESRHJHSA-N 1 3 371.525 2.200 10 0 FEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000164119022 327064901 /nfs/dbraw/zinc/06/49/01/327064901.db2.gz LMDQMWPNYMACFQ-DYESRHJHSA-N 1 3 371.525 2.200 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)cc2)CC1 ZINC000173749295 327281064 /nfs/dbraw/zinc/28/10/64/327281064.db2.gz ZTUKICSSBPCZIX-PXNSSMCTSA-N 1 3 356.514 2.137 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cc2)CC1 ZINC000173749295 327281065 /nfs/dbraw/zinc/28/10/65/327281065.db2.gz ZTUKICSSBPCZIX-PXNSSMCTSA-N 1 3 356.514 2.137 10 0 FEAEHO CN(C)CC[NH2+]Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 ZINC000020167839 521787371 /nfs/dbraw/zinc/78/73/71/521787371.db2.gz CBMJWMOUGXEZPE-NRFANRHFSA-N 1 3 371.525 2.210 10 0 FEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000157178337 545710406 /nfs/dbraw/zinc/71/04/06/545710406.db2.gz AZVIJUKOWOYGBG-XLIONFOSSA-N 1 3 358.530 2.463 10 0 FEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000157178337 545710410 /nfs/dbraw/zinc/71/04/10/545710410.db2.gz AZVIJUKOWOYGBG-XLIONFOSSA-N 1 3 358.530 2.463 10 0 FEAEHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000183090160 547599905 /nfs/dbraw/zinc/59/99/05/547599905.db2.gz WAVGIFGLJCSKGV-ICSRJNTNSA-N 1 3 359.514 2.186 10 0 FEAEHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000261956993 549773531 /nfs/dbraw/zinc/77/35/31/549773531.db2.gz PCQGQNZBAGNVKI-VSKRKVRLSA-N 1 3 372.557 2.393 10 0 FEAEHO COc1cc(C[NH2+]CCCSC)ccc1OC[C@H](O)CN1CCCC1 ZINC000012576319 220009398 /nfs/dbraw/zinc/00/93/98/220009398.db2.gz COBNBZQNQRGJHZ-QGZVFWFLSA-N 1 3 368.543 2.373 10 0 FEAEHO CC(C)NC(=O)CC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106127458 543204654 /nfs/dbraw/zinc/20/46/54/543204654.db2.gz SWXZXZKLMLJELN-FQEVSTJZSA-N 1 3 361.530 2.279 10 0 FEAEHO CC(C)NC(=O)CC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106127458 543204655 /nfs/dbraw/zinc/20/46/55/543204655.db2.gz SWXZXZKLMLJELN-FQEVSTJZSA-N 1 3 361.530 2.279 10 0 FEAEHO C[C@H]([NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)NC(C)(C)C ZINC000112549953 543451512 /nfs/dbraw/zinc/45/15/12/543451512.db2.gz RTYVTSRNPUQRNU-QFBILLFUSA-N 1 3 361.530 2.325 10 0 FEAEHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCO[C@H](CN(C)C)C2)CC1 ZINC000117052327 543622775 /nfs/dbraw/zinc/62/27/75/543622775.db2.gz VLEIBXMVDGGHEI-YLJYHZDGSA-N 1 3 374.529 2.184 10 0 FEAEHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000129560499 544118095 /nfs/dbraw/zinc/11/80/95/544118095.db2.gz FFBKXGFBBKRTBX-GOSISDBHSA-N 1 3 374.529 2.232 10 0 FEAEHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000129560499 544118098 /nfs/dbraw/zinc/11/80/98/544118098.db2.gz FFBKXGFBBKRTBX-GOSISDBHSA-N 1 3 374.529 2.232 10 0 FEAEHO CC[C@H](C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)N(C)C ZINC000131759498 544205134 /nfs/dbraw/zinc/20/51/34/544205134.db2.gz JTEDWXIKRMATJH-UXHICEINSA-N 1 3 361.530 2.231 10 0 FEAEHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)C1 ZINC000190499287 328211810 /nfs/dbraw/zinc/21/18/10/328211810.db2.gz FFISEDSZYNWODZ-WOJBJXKFSA-N 1 3 373.545 2.277 10 0 FEAEHO CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)C1 ZINC000190499287 328211811 /nfs/dbraw/zinc/21/18/11/328211811.db2.gz FFISEDSZYNWODZ-WOJBJXKFSA-N 1 3 373.545 2.277 10 0 FEAEHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000117030802 326048138 /nfs/dbraw/zinc/04/81/38/326048138.db2.gz ASPPCBMGBZUPQU-IBGZPJMESA-N 1 3 362.518 2.000 10 0 FEAEHO CCC[C@H](C(=O)NCCCN1CCN(c2cccc(C)c2)CC1)[NH+](C)C ZINC000161527065 327002072 /nfs/dbraw/zinc/00/20/72/327002072.db2.gz ODANGQBACWMNDV-HXUWFJFHSA-N 1 3 360.546 2.354 10 0 FEAEHO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](N(C)C)C3)cc2)CC1 ZINC000170844386 327102294 /nfs/dbraw/zinc/10/22/94/327102294.db2.gz RZBSLNQVIQWVJV-IBGZPJMESA-N 1 3 372.513 2.020 10 0 FEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cncc(Br)c2)CC1 ZINC000170941753 327108858 /nfs/dbraw/zinc/10/88/58/327108858.db2.gz CBJFHPHPFVMLQN-CYBMUJFWSA-N 1 3 356.308 2.369 10 0 FEAEHO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000171083075 327116511 /nfs/dbraw/zinc/11/65/11/327116511.db2.gz CCOGKDGYRVGZFI-SFHVURJKSA-N 1 3 362.543 2.446 10 0 FEAEHO O=C(NCC1(N2CCSCC2)CCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171978554 327174052 /nfs/dbraw/zinc/17/40/52/327174052.db2.gz ILQVQYVIFFVZQR-KRWDZBQOSA-N 1 3 366.575 2.228 10 0 FEAEHO O=C(NCC1(N2CCSCC2)CCCCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171978554 327174053 /nfs/dbraw/zinc/17/40/53/327174053.db2.gz ILQVQYVIFFVZQR-KRWDZBQOSA-N 1 3 366.575 2.228 10 0 FEAEHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000262941423 328901892 /nfs/dbraw/zinc/90/18/92/328901892.db2.gz IVWJWPXXROQQSI-SJBKTWHCSA-N 1 3 373.541 2.456 10 0 FEAEHO CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)C1CC[NH+](C)CC1 ZINC000177465850 546624992 /nfs/dbraw/zinc/62/49/92/546624992.db2.gz KGFVYZKMAAIRJZ-OAQYLSRUSA-N 1 3 373.541 2.232 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)cc2)CC1 ZINC000247259947 549308638 /nfs/dbraw/zinc/30/86/38/549308638.db2.gz ZTUKICSSBPCZIX-YLJYHZDGSA-N 1 3 356.514 2.137 10 0 FEAEHO CCN1CCN(c2ccc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)cc2)CC1 ZINC000247259947 549308642 /nfs/dbraw/zinc/30/86/42/549308642.db2.gz ZTUKICSSBPCZIX-YLJYHZDGSA-N 1 3 356.514 2.137 10 0 FEAEHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3(N)CCOCC3)cc2)C1 ZINC000261777749 549754227 /nfs/dbraw/zinc/75/42/27/549754227.db2.gz HEHRDQOOIIYFAT-IAGOWNOFSA-N 1 3 359.514 2.289 10 0 FEAEHO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CN1Cc1ccccc1 ZINC000653122372 677516791 /nfs/dbraw/zinc/51/67/91/677516791.db2.gz VDCQNENXEWYNNZ-LCGIIJARSA-N 1 3 355.404 2.164 10 0 FEAEHO