smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CSC ZINC000012056164 539542168 /nfs/dbraw/zinc/54/21/68/539542168.db2.gz RTSUTSFXTZOUSP-GOSISDBHSA-N 2 1 371.591 2.021 50 0 FEAAMP c1c(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)nn2c1C[NH2+]CCC2 ZINC000072154287 541790302 /nfs/dbraw/zinc/79/03/02/541790302.db2.gz DKHVXRFEXNDVRH-UHFFFAOYSA-N 2 1 365.525 2.399 50 0 FEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1ccncc1)C2 ZINC000072162572 541792188 /nfs/dbraw/zinc/79/21/88/541792188.db2.gz HCXIHAFRDGWBNX-NJYVYQBISA-N 2 1 359.514 2.421 50 0 FEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3nc(C(C)C)cs3)CC[C@H]21 ZINC000072407604 541805629 /nfs/dbraw/zinc/80/56/29/541805629.db2.gz AIHFRTNAQZQOMY-GOEBONIOSA-N 2 1 350.532 2.299 50 0 FEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3nc(C(C)C)cs3)CC[C@H]21 ZINC000072407604 541805630 /nfs/dbraw/zinc/80/56/30/541805630.db2.gz AIHFRTNAQZQOMY-GOEBONIOSA-N 2 1 350.532 2.299 50 0 FEAAMP Cc1[nH+]ccn1Cc1ccccc1NC(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072481515 541822656 /nfs/dbraw/zinc/82/26/56/541822656.db2.gz FJPMXVHCLODCGC-UHFFFAOYSA-N 2 1 364.453 2.111 50 0 FEAAMP COc1c(C)c[nH+]c(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1C ZINC000004626521 204152265 /nfs/dbraw/zinc/15/22/65/204152265.db2.gz MQWKAXVEPPAFCN-UHFFFAOYSA-N 2 1 360.502 2.013 50 0 FEAAMP C[NH+](C)[C@@H]1CCN(C(=O)c2cc(C[N@@H+](C)CCc3ccccc3)on2)C1 ZINC000067847645 205396156 /nfs/dbraw/zinc/39/61/56/205396156.db2.gz ORXVQTFIJXRXCK-QGZVFWFLSA-N 2 1 356.470 2.125 50 0 FEAAMP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CC[NH2+][C@H](C)C2)nc1 ZINC000067879391 205399493 /nfs/dbraw/zinc/39/94/93/205399493.db2.gz URJYHEBLHUHJIG-MRXNPFEDSA-N 2 1 370.501 2.020 50 0 FEAAMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000106924291 206016309 /nfs/dbraw/zinc/01/63/09/206016309.db2.gz CFVLQHHLWALZAP-KSZLIROESA-N 2 1 351.535 2.257 50 0 FEAAMP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000106924291 206016311 /nfs/dbraw/zinc/01/63/11/206016311.db2.gz CFVLQHHLWALZAP-KSZLIROESA-N 2 1 351.535 2.257 50 0 FEAAMP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000106924291 206016315 /nfs/dbraw/zinc/01/63/15/206016315.db2.gz CFVLQHHLWALZAP-KSZLIROESA-N 2 1 351.535 2.257 50 0 FEAAMP Cc1ccc(CSc2nc(N3CC[C@H]([NH+](C)C)[C@@H](O)C3)cc(N)[nH+]2)cc1 ZINC000095369726 132208565 /nfs/dbraw/zinc/20/85/65/132208565.db2.gz WAHUZWAJEVMDPF-HOTGVXAUSA-N 2 1 373.526 2.161 50 0 FEAAMP Cc1ccc(CSc2nc(N)cc(N3CC[C@H]([NH+](C)C)[C@@H](O)C3)[nH+]2)cc1 ZINC000095369726 132208567 /nfs/dbraw/zinc/20/85/67/132208567.db2.gz WAHUZWAJEVMDPF-HOTGVXAUSA-N 2 1 373.526 2.161 50 0 FEAAMP Cc1cc(N2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)[C@H]4O)CC2)nc(N2CCCC2)[nH+]1 ZINC000102517079 132235458 /nfs/dbraw/zinc/23/54/58/132235458.db2.gz HLJLLMHKLUPINW-YRWFTTLQSA-N 2 1 371.529 2.057 50 0 FEAAMP C[NH+](C)[C@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)c1cccc(F)c1 ZINC000095370340 542961438 /nfs/dbraw/zinc/96/14/38/542961438.db2.gz OZEPEGHQZCRLKD-SFHVURJKSA-N 2 1 365.518 2.468 50 0 FEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1nccs1)C2 ZINC000095358802 542959144 /nfs/dbraw/zinc/95/91/44/542959144.db2.gz MXEKNEHILFIXBE-LMMKCTJWSA-N 2 1 365.543 2.483 50 0 FEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1nccs1)C2 ZINC000095358802 542959146 /nfs/dbraw/zinc/95/91/46/542959146.db2.gz MXEKNEHILFIXBE-LMMKCTJWSA-N 2 1 365.543 2.483 50 0 FEAAMP O=C(CCC[NH+]1CCCCCC1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095525594 542980708 /nfs/dbraw/zinc/98/07/08/542980708.db2.gz BXEQIQJAUDMOMG-OAQYLSRUSA-N 2 1 373.541 2.348 50 0 FEAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000097436862 543011224 /nfs/dbraw/zinc/01/12/24/543011224.db2.gz DEUHIEHQLGNTKT-UHFFFAOYSA-N 2 1 367.453 2.495 50 0 FEAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000097436862 543011227 /nfs/dbraw/zinc/01/12/27/543011227.db2.gz DEUHIEHQLGNTKT-UHFFFAOYSA-N 2 1 367.453 2.495 50 0 FEAAMP C[NH+]1CCC(C)(C[N@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)CC1 ZINC000082083538 523750372 /nfs/dbraw/zinc/75/03/72/523750372.db2.gz VMZACUSVMOLLHD-UHFFFAOYSA-N 2 1 373.545 2.237 50 0 FEAAMP COc1ccc2nc(C[NH2+]C3CCN(c4cc(C)[nH+]c(N)n4)CC3)[nH]c2c1 ZINC000095366521 537053685 /nfs/dbraw/zinc/05/36/85/537053685.db2.gz GJLWUAJZLBIERY-UHFFFAOYSA-N 2 1 367.457 2.011 50 0 FEAAMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000262171324 549795737 /nfs/dbraw/zinc/79/57/37/549795737.db2.gz ATFJMLAJHMURQG-ZUVBDUPZSA-N 2 1 363.546 2.240 50 0 FEAAMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000262171324 549795739 /nfs/dbraw/zinc/79/57/39/549795739.db2.gz ATFJMLAJHMURQG-ZUVBDUPZSA-N 2 1 363.546 2.240 50 0 FEAAMP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299758433 553611250 /nfs/dbraw/zinc/61/12/50/553611250.db2.gz KWGYTTWDPHZPTO-HBMCJLEFSA-N 2 1 371.525 2.175 50 0 FEAAMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)c1 ZINC000333009894 554558637 /nfs/dbraw/zinc/55/86/37/554558637.db2.gz FONPBPVCAHWTPT-GOSISDBHSA-N 2 1 357.502 2.239 50 0 FEAAMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)CC2)c1 ZINC000333009894 554558639 /nfs/dbraw/zinc/55/86/39/554558639.db2.gz FONPBPVCAHWTPT-GOSISDBHSA-N 2 1 357.502 2.239 50 0 FEAAMP O=C1OCc2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@]4(CO)C3)c3cccc1c23 ZINC000072160936 541791735 /nfs/dbraw/zinc/79/17/35/541791735.db2.gz AYLSOZCPZGKRPC-DENIHFKCSA-N 2 1 366.461 2.447 50 0 FEAAMP O=C1OCc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@]4(CO)C3)c3cccc1c23 ZINC000072160936 541791737 /nfs/dbraw/zinc/79/17/37/541791737.db2.gz AYLSOZCPZGKRPC-DENIHFKCSA-N 2 1 366.461 2.447 50 0 FEAAMP Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC000072410373 541807323 /nfs/dbraw/zinc/80/73/23/541807323.db2.gz MISKXIFFCODPTK-SFHVURJKSA-N 2 1 374.577 2.322 50 0 FEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3cc(C)c(OC)cc3C)CC[C@H]21 ZINC000072463198 541818001 /nfs/dbraw/zinc/81/80/01/541818001.db2.gz RCGLAOZSEDTWSH-PKOBYXMFSA-N 2 1 359.514 2.344 50 0 FEAAMP CC(C)[N@H+]1CCO[C@H](CC(=O)N2CCC[NH+](Cc3cccs3)CC2)C1 ZINC000077408136 542379197 /nfs/dbraw/zinc/37/91/97/542379197.db2.gz ROUVPUIDYBKNLW-QGZVFWFLSA-N 2 1 365.543 2.282 50 0 FEAAMP CC(C)[NH+]1CCO[C@H](CC(=O)N2CCC[N@H+](Cc3cccs3)CC2)C1 ZINC000077408136 542379200 /nfs/dbraw/zinc/37/92/00/542379200.db2.gz ROUVPUIDYBKNLW-QGZVFWFLSA-N 2 1 365.543 2.282 50 0 FEAAMP CC(C)[NH+]1CCO[C@H](CC(=O)N2CCC[N@@H+](Cc3cccs3)CC2)C1 ZINC000077408136 542379202 /nfs/dbraw/zinc/37/92/02/542379202.db2.gz ROUVPUIDYBKNLW-QGZVFWFLSA-N 2 1 365.543 2.282 50 0 FEAAMP COc1ccc(CC[N@H+](C)[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1OC ZINC000072127231 136142204 /nfs/dbraw/zinc/14/22/04/136142204.db2.gz JQQWDDHTPRRKBH-MRXNPFEDSA-N 2 1 371.485 2.219 50 0 FEAAMP COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1OC ZINC000072127231 136142205 /nfs/dbraw/zinc/14/22/05/136142205.db2.gz JQQWDDHTPRRKBH-MRXNPFEDSA-N 2 1 371.485 2.219 50 0 FEAAMP O=C(N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1)C1([NH+]2CCCC2)CCCC1 ZINC000095505576 542976383 /nfs/dbraw/zinc/97/63/83/542976383.db2.gz ACIWZKLYWGZLOH-HXUWFJFHSA-N 2 1 371.525 2.100 50 0 FEAAMP O=C(N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1)C1([NH+]2CCCC2)CCCC1 ZINC000095505576 542976386 /nfs/dbraw/zinc/97/63/86/542976386.db2.gz ACIWZKLYWGZLOH-HXUWFJFHSA-N 2 1 371.525 2.100 50 0 FEAAMP c1cc(OCCCN2CCOCC2)ccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000097155836 543006166 /nfs/dbraw/zinc/00/61/66/543006166.db2.gz JWHXWVQLTUTWJT-JOCHJYFZSA-N 2 1 373.541 2.363 50 0 FEAAMP c1cc(OCCCN2CCOCC2)ccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000097155836 543006169 /nfs/dbraw/zinc/00/61/69/543006169.db2.gz JWHXWVQLTUTWJT-JOCHJYFZSA-N 2 1 373.541 2.363 50 0 FEAAMP Cc1ncc(C[NH+]2CCC3(CC2)CC[N@@H+](Cc2ccoc2)C[C@H]3CO)n1C ZINC000097797399 543016672 /nfs/dbraw/zinc/01/66/72/543016672.db2.gz ZNRROXCQAUGIMK-IBGZPJMESA-N 2 1 372.513 2.418 50 0 FEAAMP CC(C)C[N@H+]1CC[C@H](CN(C)C(=O)c2cc(F)ccc2OCC[NH3+])C1 ZINC000426728275 263664907 /nfs/dbraw/zinc/66/49/07/263664907.db2.gz LYXNFMHNYRFQSA-OAHLLOKOSA-N 2 1 351.466 2.213 50 0 FEAAMP CCCCc1ncc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC)CC3)[nH]1 ZINC000230199178 548759020 /nfs/dbraw/zinc/75/90/20/548759020.db2.gz LVCIVUOARZEJTJ-HXUWFJFHSA-N 2 1 361.534 2.271 50 0 FEAAMP Cc1ccc2nc(CCCNC(=O)[C@@H](C)C[NH+]3CCOCC3)[nH]c2c1C ZINC000244794908 548895373 /nfs/dbraw/zinc/89/53/73/548895373.db2.gz QWBTWPILNJXDHS-HNNXBMFYSA-N 2 1 358.486 2.197 50 0 FEAAMP O=C1[C@H](N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CCN1c1c(F)cccc1F ZINC000252569087 549674617 /nfs/dbraw/zinc/67/46/17/549674617.db2.gz VYQAIBMJIACFCN-LBTBCDHLSA-N 2 1 361.436 2.486 50 0 FEAAMP CCc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)on1 ZINC000011817239 539535659 /nfs/dbraw/zinc/53/56/59/539535659.db2.gz NCZNPASLEPLDAX-MRXNPFEDSA-N 2 1 362.518 2.438 50 0 FEAAMP CC(C)CC[N@H+]1CCN(C2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1CCO ZINC000019229162 539653913 /nfs/dbraw/zinc/65/39/13/539653913.db2.gz RTQRABKJOMGXRL-QFIPXVFZSA-N 2 1 374.573 2.461 50 0 FEAAMP C[N@H+]1CC2(C[C@@H]1C(=O)NCC1(COc3ccccc3)CC1)CC[NH2+]CC2 ZINC000072409180 541806298 /nfs/dbraw/zinc/80/62/98/541806298.db2.gz IODGWXYLQJZVEP-GOSISDBHSA-N 2 1 357.498 2.036 50 0 FEAAMP Cc1ccccc1C[N@H+]1CC[C@H](CNc2ncnc3c2CC[NH2+]CC3)C1 ZINC000072422754 541808975 /nfs/dbraw/zinc/80/89/75/541808975.db2.gz INGIFQBGNNMCOP-QGZVFWFLSA-N 2 1 351.498 2.407 50 0 FEAAMP C[NH+]1CCC(N2CC[N@@H+](Cc3cccc4cnccc43)C[C@H]2CCO)CC1 ZINC000104391032 206238947 /nfs/dbraw/zinc/23/89/47/206238947.db2.gz PUJNROGAXNRZDL-OAQYLSRUSA-N 2 1 368.525 2.198 50 0 FEAAMP COCC(=O)N1CCC[N@H+](Cc2cc(C[NH+]3CCCCC3)cs2)CC1 ZINC000216213841 206356457 /nfs/dbraw/zinc/35/64/57/206356457.db2.gz GPGLSBNBHAMMRF-UHFFFAOYSA-N 2 1 365.543 2.415 50 0 FEAAMP COCC(=O)N1CCC[N@@H+](Cc2cc(C[NH+]3CCCCC3)cs2)CC1 ZINC000216213841 206356460 /nfs/dbraw/zinc/35/64/60/206356460.db2.gz GPGLSBNBHAMMRF-UHFFFAOYSA-N 2 1 365.543 2.415 50 0 FEAAMP Cc1[nH+]c(N)nc(N2CCC([NH2+]Cc3cn4ccccc4n3)CC2)c1Cl ZINC000095528607 132215083 /nfs/dbraw/zinc/21/50/83/132215083.db2.gz SAFRKJKIBPJKPO-UHFFFAOYSA-N 2 1 371.876 2.427 50 0 FEAAMP CNc1nc(N2CCN(c3cc[nH+]cc3C)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000299773918 132298997 /nfs/dbraw/zinc/29/89/97/132298997.db2.gz GVWJKZJCUWDGKY-HNNXBMFYSA-N 2 1 354.458 2.052 50 0 FEAAMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cc(=O)c4cc(F)ccc4[nH]3)C2)CC1 ZINC000091586099 542814108 /nfs/dbraw/zinc/81/41/08/542814108.db2.gz FSLPBDOSQUJZJH-INIZCTEOSA-N 2 1 372.488 2.127 50 0 FEAAMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cc(=O)c4cc(F)ccc4[nH]3)C2)CC1 ZINC000091586100 542814149 /nfs/dbraw/zinc/81/41/49/542814149.db2.gz FSLPBDOSQUJZJH-MRXNPFEDSA-N 2 1 372.488 2.127 50 0 FEAAMP [NH3+]CCc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)c1 ZINC000091845856 542828275 /nfs/dbraw/zinc/82/82/75/542828275.db2.gz NKNRGTWWZIBZCE-TZIWHRDSSA-N 2 1 364.493 2.319 50 0 FEAAMP O[C@H](COc1cccc(C[N@H+]2CCCCC23CC3)c1)C[NH+]1CCC(O)CC1 ZINC000095501659 542975524 /nfs/dbraw/zinc/97/55/24/542975524.db2.gz RAPUDVHQEHPSHR-FQEVSTJZSA-N 2 1 374.525 2.402 50 0 FEAAMP NC(=O)C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095505472 542976040 /nfs/dbraw/zinc/97/60/40/542976040.db2.gz FSRWCUHZEUBRQX-SFHVURJKSA-N 2 1 363.477 2.004 50 0 FEAAMP Cc1[nH+]ccn1CCCN1C(=O)N(CCC(C)C)C2(CC[NH2+]CC2)C1=O ZINC000095521485 542980295 /nfs/dbraw/zinc/98/02/95/542980295.db2.gz GZVDDPFUEIEDFU-UHFFFAOYSA-N 2 1 361.490 2.014 50 0 FEAAMP C[N@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)c1cc(Cl)ccc1OCC[NH3+])C2 ZINC000426479825 559735438 /nfs/dbraw/zinc/73/54/38/559735438.db2.gz VHTUURFCFPVETB-ZFWWWQNUSA-N 2 1 351.878 2.234 50 0 FEAAMP COc1ccc(C(=O)N2CCC[C@@H](Cn3cc[nH+]c3C)C2)c(OCC[NH3+])c1 ZINC000426651233 559739613 /nfs/dbraw/zinc/73/96/13/559739613.db2.gz GKDUYDJEKKKYKY-INIZCTEOSA-N 2 1 372.469 2.090 50 0 FEAAMP C[N@@H+](C[C@H](O)COc1ccccc1C[NH2+]CCCO)C1CCCCC1 ZINC000011998521 539540860 /nfs/dbraw/zinc/54/08/60/539540860.db2.gz WKRXUGIGFMVSDU-IBGZPJMESA-N 2 1 350.503 2.163 50 0 FEAAMP C[NH+](C)CCNC(=O)C1([N@@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072167105 541794243 /nfs/dbraw/zinc/79/42/43/541794243.db2.gz GKDYXSSOINZIBQ-UHFFFAOYSA-N 2 1 365.521 2.376 50 0 FEAAMP Cc1nn(C(C)C)c(C)c1CN(C)C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072411252 541807180 /nfs/dbraw/zinc/80/71/80/541807180.db2.gz YDFDVDAXAPYDOK-GOSISDBHSA-N 2 1 361.534 2.113 50 0 FEAAMP CC(C)[C@H](C(=O)NCc1ccc(N2CCCC2)nc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106153796 206233612 /nfs/dbraw/zinc/23/36/12/206233612.db2.gz LIGHVNDXCUCKEQ-MBOZVWFJSA-N 2 1 374.529 2.432 50 0 FEAAMP CO[C@H]1CC[N@H+](C2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)C1 ZINC000095531685 132215241 /nfs/dbraw/zinc/21/52/41/132215241.db2.gz BWEOOQNIOHFHJP-SFHVURJKSA-N 2 1 359.518 2.465 50 0 FEAAMP Cc1[nH+]ccn1CCC1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)CC1 ZINC000220149696 132275681 /nfs/dbraw/zinc/27/56/81/132275681.db2.gz ZUMJEGNBNIUEPE-WKILWMFISA-N 2 1 355.490 2.075 50 0 FEAAMP COCC[N@@H+](C)C[C@H]1C[C@H](CO)C[NH+](Cc2ccc3c(ccn3C)c2)C1 ZINC000091574421 542813733 /nfs/dbraw/zinc/81/37/33/542813733.db2.gz PSDFKUDOUHUSKW-MOPGFXCFSA-N 2 1 359.514 2.187 50 0 FEAAMP COCC[NH+](C)C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc3c(ccn3C)c2)C1 ZINC000091574421 542813736 /nfs/dbraw/zinc/81/37/36/542813736.db2.gz PSDFKUDOUHUSKW-MOPGFXCFSA-N 2 1 359.514 2.187 50 0 FEAAMP COCC[NH+](C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc3c(ccn3C)c2)C1 ZINC000091574421 542813738 /nfs/dbraw/zinc/81/37/38/542813738.db2.gz PSDFKUDOUHUSKW-MOPGFXCFSA-N 2 1 359.514 2.187 50 0 FEAAMP C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000095368938 542962057 /nfs/dbraw/zinc/96/20/57/542962057.db2.gz ULXGLMDTMPWGIZ-IBGZPJMESA-N 2 1 359.539 2.083 50 0 FEAAMP C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000095368938 542962060 /nfs/dbraw/zinc/96/20/60/542962060.db2.gz ULXGLMDTMPWGIZ-IBGZPJMESA-N 2 1 359.539 2.083 50 0 FEAAMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1 ZINC000095366652 542960440 /nfs/dbraw/zinc/96/04/40/542960440.db2.gz JRXJBDWLTHIXEQ-IBGZPJMESA-N 2 1 363.477 2.188 50 0 FEAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@@H]2CO)CC1 ZINC000095380326 542965614 /nfs/dbraw/zinc/96/56/14/542965614.db2.gz YXVBXOBYWZYFKC-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1C ZINC000095392228 542968490 /nfs/dbraw/zinc/96/84/90/542968490.db2.gz XROKGHGGJKKJNB-KRWDZBQOSA-N 2 1 351.458 2.143 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1C ZINC000095392228 542968492 /nfs/dbraw/zinc/96/84/92/542968492.db2.gz XROKGHGGJKKJNB-KRWDZBQOSA-N 2 1 351.458 2.143 50 0 FEAAMP C[N@H+]1CCCN(Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000095496549 542973043 /nfs/dbraw/zinc/97/30/43/542973043.db2.gz FDSCKNWVNAQEJA-HXUWFJFHSA-N 2 1 361.530 2.050 50 0 FEAAMP CN1CCC[N@H+](Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000095496549 542973045 /nfs/dbraw/zinc/97/30/45/542973045.db2.gz FDSCKNWVNAQEJA-HXUWFJFHSA-N 2 1 361.530 2.050 50 0 FEAAMP CN1CCC[N@@H+](Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000095496549 542973048 /nfs/dbraw/zinc/97/30/48/542973048.db2.gz FDSCKNWVNAQEJA-HXUWFJFHSA-N 2 1 361.530 2.050 50 0 FEAAMP COCC[N@H+](C)CC(=O)N1CCC2(C[C@@H](c3ccccc3)C[NH+]2C)CC1 ZINC000095502546 542975546 /nfs/dbraw/zinc/97/55/46/542975546.db2.gz NTOLIRGZYJQKEG-LJQANCHMSA-N 2 1 359.514 2.045 50 0 FEAAMP COCC[N@@H+](C)CC(=O)N1CCC2(C[C@@H](c3ccccc3)C[NH+]2C)CC1 ZINC000095502546 542975550 /nfs/dbraw/zinc/97/55/50/542975550.db2.gz NTOLIRGZYJQKEG-LJQANCHMSA-N 2 1 359.514 2.045 50 0 FEAAMP COCC[NH+](C)CC(=O)N1CCC2(C[C@@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095502546 542975553 /nfs/dbraw/zinc/97/55/53/542975553.db2.gz NTOLIRGZYJQKEG-LJQANCHMSA-N 2 1 359.514 2.045 50 0 FEAAMP COCC[NH+](C)CC(=O)N1CCC2(C[C@@H](c3ccccc3)C[N@H+]2C)CC1 ZINC000095502546 542975558 /nfs/dbraw/zinc/97/55/58/542975558.db2.gz NTOLIRGZYJQKEG-LJQANCHMSA-N 2 1 359.514 2.045 50 0 FEAAMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(N[C@H]3CC[C@@H]([NH3+])CC3)nc2)C1 ZINC000244795103 519732256 /nfs/dbraw/zinc/73/22/56/519732256.db2.gz QZNMFKMJBMGABS-QRQLOZEOSA-N 2 1 373.545 2.471 50 0 FEAAMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000091624950 527414802 /nfs/dbraw/zinc/41/48/02/527414802.db2.gz UQTLGQDIHXKGAZ-DOTOQJQBSA-N 2 1 359.499 2.161 50 0 FEAAMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000091624950 527414805 /nfs/dbraw/zinc/41/48/05/527414805.db2.gz UQTLGQDIHXKGAZ-DOTOQJQBSA-N 2 1 359.499 2.161 50 0 FEAAMP COC(=O)CC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000248163052 549412921 /nfs/dbraw/zinc/41/29/21/549412921.db2.gz YQJSNAJIQYBABK-WOJBJXKFSA-N 2 1 359.514 2.078 50 0 FEAAMP CC(C)CC[N@H+]1CC[C@@H](N2CC[NH+](CCc3ccccc3)CC2)[C@H](O)C1 ZINC000019642822 539664100 /nfs/dbraw/zinc/66/41/00/539664100.db2.gz OFTUUQUEHYIVCJ-FGZHOGPDSA-N 2 1 359.558 2.328 50 0 FEAAMP C[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]CCc3ccco3)s2)CC1 ZINC000021531676 539684528 /nfs/dbraw/zinc/68/45/28/539684528.db2.gz NRIZMLOZUFINLE-UHFFFAOYSA-N 2 1 372.498 2.006 50 0 FEAAMP CC[NH+]1CCN(C(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)CC1 ZINC000021663486 539686340 /nfs/dbraw/zinc/68/63/40/539686340.db2.gz QZUCAAWRKFWKBL-UHFFFAOYSA-N 2 1 362.543 2.437 50 0 FEAAMP C[N@@H+](CCc1ccccc1)C1(C(=O)N2CC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000072149556 541788631 /nfs/dbraw/zinc/78/86/31/541788631.db2.gz PVPJKDMJWOMNCB-NRFANRHFSA-N 2 1 363.505 2.258 50 0 FEAAMP CN1C[C@]2(C)C[N@H+]([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)C[C@](C)(C1)C2 ZINC000020862251 206333298 /nfs/dbraw/zinc/33/32/98/206333298.db2.gz OYLXWNCEFPFOSI-MBDNFAEBSA-N 2 1 369.553 2.387 50 0 FEAAMP C[N@@H+]1C[C@]2(C)C[NH+]([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)C[C@](C)(C1)C2 ZINC000020862251 206333303 /nfs/dbraw/zinc/33/33/03/206333303.db2.gz OYLXWNCEFPFOSI-MBDNFAEBSA-N 3 1 369.553 2.387 50 0 FEAAMP C[N@H+]1C[C@]2(C)C[NH+]([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)C[C@](C)(C1)C2 ZINC000020862251 206333309 /nfs/dbraw/zinc/33/33/09/206333309.db2.gz OYLXWNCEFPFOSI-MBDNFAEBSA-N 3 1 369.553 2.387 50 0 FEAAMP C[NH+]1C[C@]2(C)C[N@@H+]([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)C[C@](C)(C1)C2 ZINC000020862251 206333313 /nfs/dbraw/zinc/33/33/13/206333313.db2.gz OYLXWNCEFPFOSI-MBDNFAEBSA-N 3 1 369.553 2.387 50 0 FEAAMP C[NH+]1C[C@]2(C)C[N@H+]([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)C[C@](C)(C1)C2 ZINC000020862251 206333318 /nfs/dbraw/zinc/33/33/18/206333318.db2.gz OYLXWNCEFPFOSI-MBDNFAEBSA-N 3 1 369.553 2.387 50 0 FEAAMP C[N@@H+]1C[C@@]2(C)CN([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)C[C@@](C)(C1)C2 ZINC000020862251 206333320 /nfs/dbraw/zinc/33/33/20/206333320.db2.gz OYLXWNCEFPFOSI-MBDNFAEBSA-N 2 1 369.553 2.387 50 0 FEAAMP C[N@H+]1C[C@@]2(C)CN([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)C[C@@](C)(C1)C2 ZINC000020862251 206333325 /nfs/dbraw/zinc/33/33/25/206333325.db2.gz OYLXWNCEFPFOSI-MBDNFAEBSA-N 2 1 369.553 2.387 50 0 FEAAMP Cc1cnc(N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)nc1N(C)C ZINC000095384524 132209828 /nfs/dbraw/zinc/20/98/28/132209828.db2.gz ZEVUTVDZUFTCQF-UHFFFAOYSA-N 2 1 371.533 2.383 50 0 FEAAMP C[NH+]1CCC([NH+]2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)CC1 ZINC000091770299 542825314 /nfs/dbraw/zinc/82/53/14/542825314.db2.gz MKHPJNMRPYHVCF-UHFFFAOYSA-N 2 1 369.517 2.131 50 0 FEAAMP Cc1cccc([C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)[NH+](C)C)c1 ZINC000095364207 542960568 /nfs/dbraw/zinc/96/05/68/542960568.db2.gz JIUIMNLXCVQEHN-FQEVSTJZSA-N 2 1 359.514 2.169 50 0 FEAAMP CN(CCCC[NH+]1CCOCC1)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095389450 542968411 /nfs/dbraw/zinc/96/84/11/542968411.db2.gz QOZHWJLYVZMKEK-HXUWFJFHSA-N 2 1 359.514 2.338 50 0 FEAAMP C[N@@H+](CCCO)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095500434 542974114 /nfs/dbraw/zinc/97/41/14/542974114.db2.gz MWXTXQIEGGFQAU-IBGZPJMESA-N 2 1 350.503 2.117 50 0 FEAAMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091321589 527392360 /nfs/dbraw/zinc/39/23/60/527392360.db2.gz ZUTBONGSDQCTTR-PKOBYXMFSA-N 2 1 360.502 2.074 50 0 FEAAMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000091321589 527392369 /nfs/dbraw/zinc/39/23/69/527392369.db2.gz ZUTBONGSDQCTTR-PKOBYXMFSA-N 2 1 360.502 2.074 50 0 FEAAMP C[N@H+]1CCN(Cc2ccccc2OCCC[NH+]2CCCCC2)C[C@H]1CO ZINC000225326595 548732666 /nfs/dbraw/zinc/73/26/66/548732666.db2.gz VCEDCNDCCWPROD-FQEVSTJZSA-N 2 1 361.530 2.050 50 0 FEAAMP Cc1cc(N2CCC[N@H+](Cc3cc(=O)n4ccsc4n3)CC2)cc[nH+]1 ZINC000252481550 549667538 /nfs/dbraw/zinc/66/75/38/549667538.db2.gz CNYHZPJOAWQLDB-UHFFFAOYSA-N 2 1 355.467 2.172 50 0 FEAAMP Cc1cc(N2CCC[N@@H+](Cc3cc(=O)n4ccsc4n3)CC2)cc[nH+]1 ZINC000252481550 549667540 /nfs/dbraw/zinc/66/75/40/549667540.db2.gz CNYHZPJOAWQLDB-UHFFFAOYSA-N 2 1 355.467 2.172 50 0 FEAAMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000252496834 549670231 /nfs/dbraw/zinc/67/02/31/549670231.db2.gz PSRRDXUCYJKOMZ-LJQANCHMSA-N 2 1 374.529 2.172 50 0 FEAAMP CCC[NH+]1CCC(CNC(=O)N2CCC[N@H+](Cc3cccnc3)CC2)CC1 ZINC000426477496 570606584 /nfs/dbraw/zinc/60/65/84/570606584.db2.gz BWSSJERBEIKJTQ-UHFFFAOYSA-N 2 1 373.545 2.421 50 0 FEAAMP CCC[NH+]1CCC(CNC(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)CC1 ZINC000426477496 570606589 /nfs/dbraw/zinc/60/65/89/570606589.db2.gz BWSSJERBEIKJTQ-UHFFFAOYSA-N 2 1 373.545 2.421 50 0 FEAAMP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000426380751 571217174 /nfs/dbraw/zinc/21/71/74/571217174.db2.gz VQSUYYWKKOSVJC-HXUWFJFHSA-N 2 1 367.497 2.076 50 0 FEAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C2CCOCC2)CC1 ZINC000011879571 539537196 /nfs/dbraw/zinc/53/71/96/539537196.db2.gz MYEYKUUCHRNLFO-LJQANCHMSA-N 2 1 351.535 2.258 50 0 FEAAMP O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](CCCF)CC2)C1 ZINC000071730316 541769334 /nfs/dbraw/zinc/76/93/34/541769334.db2.gz PICAIPIWUVUNRE-GOSISDBHSA-N 2 1 362.493 2.234 50 0 FEAAMP O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CC[NH+](CCCF)CC2)C1 ZINC000071730316 541769337 /nfs/dbraw/zinc/76/93/37/541769337.db2.gz PICAIPIWUVUNRE-GOSISDBHSA-N 2 1 362.493 2.234 50 0 FEAAMP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCOCC1 ZINC000072310193 541798625 /nfs/dbraw/zinc/79/86/25/541798625.db2.gz RBPVJSZNIJRQLA-SFHVURJKSA-N 2 1 363.477 2.017 50 0 FEAAMP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCOCC1 ZINC000072310193 541798628 /nfs/dbraw/zinc/79/86/28/541798628.db2.gz RBPVJSZNIJRQLA-SFHVURJKSA-N 2 1 363.477 2.017 50 0 FEAAMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000072308465 541797918 /nfs/dbraw/zinc/79/79/18/541797918.db2.gz LKMXHFAHFIXCAW-GOSISDBHSA-N 2 1 373.463 2.482 50 0 FEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](CCOc3ccc(C)cc3C)CC[C@H]21 ZINC000072472860 541818969 /nfs/dbraw/zinc/81/89/69/541818969.db2.gz SXTPNGOCVZTVBE-RBUKOAKNSA-N 2 1 359.514 2.215 50 0 FEAAMP Cn1c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)cc2ccccc21 ZINC000072453796 541815610 /nfs/dbraw/zinc/81/56/10/541815610.db2.gz QNDUATIOUXJWAT-FXAWDEMLSA-N 2 1 354.498 2.340 50 0 FEAAMP C[N@H+]1CCCN(C(=O)c2nn(CC[NH+]3CCCCC3)c3ccccc32)CC1 ZINC000064761048 205304639 /nfs/dbraw/zinc/30/46/39/205304639.db2.gz MPDVDXWIVAWTOS-UHFFFAOYSA-N 2 1 369.513 2.300 50 0 FEAAMP O=C(C1CC[NH+](C2CCOCC2)CC1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000097772875 205926688 /nfs/dbraw/zinc/92/66/88/205926688.db2.gz NRAZGOUCLRFKFW-HXUWFJFHSA-N 2 1 357.498 2.051 50 0 FEAAMP CC(C)[N@H+]1CCO[C@H](CC(=O)NCC[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000097601017 543013822 /nfs/dbraw/zinc/01/38/22/543013822.db2.gz KZNLPJUFSIDOCC-OAQYLSRUSA-N 2 1 373.541 2.482 50 0 FEAAMP CC[N@H+]1CCC[C@@H]1CN(Cc1cc[nH]n1)CC1CC[NH+](CCOC)CC1 ZINC000020212163 521633678 /nfs/dbraw/zinc/63/36/78/521633678.db2.gz SSSDLTYLRNUSMN-HXUWFJFHSA-N 2 1 363.550 2.054 50 0 FEAAMP Cc1ccc(NC(=O)CC[NH+]2CCC([N@@H+]3CCC[C@H](O)C3)CC2)cc1F ZINC000244719196 548893939 /nfs/dbraw/zinc/89/39/39/548893939.db2.gz LYQGMRRYKOZJAV-SFHVURJKSA-N 2 1 363.477 2.384 50 0 FEAAMP Cc1ccc(NC(=O)CC[NH+]2CCC([N@H+]3CCC[C@H](O)C3)CC2)cc1F ZINC000244719196 548893942 /nfs/dbraw/zinc/89/39/42/548893942.db2.gz LYQGMRRYKOZJAV-SFHVURJKSA-N 2 1 363.477 2.384 50 0 FEAAMP COCC[NH2+]Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012093093 670000737 /nfs/dbraw/zinc/00/07/37/670000737.db2.gz LBDTZPLLKFKNIS-IBGZPJMESA-N 2 1 350.503 2.427 50 0 FEAAMP [NH3+]Cc1cn(C[C@@H]2CCC[N@@H+](Cc3ccccc3OC(F)F)C2)nn1 ZINC000023540697 670049270 /nfs/dbraw/zinc/04/92/70/670049270.db2.gz PRVIQDZIDUQKIT-CYBMUJFWSA-N 2 1 351.401 2.250 50 0 FEAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](C2CCOCC2)CC1 ZINC000011879572 539537693 /nfs/dbraw/zinc/53/76/93/539537693.db2.gz MYEYKUUCHRNLFO-IBGZPJMESA-N 2 1 351.535 2.258 50 0 FEAAMP C[N@@H+](CCc1ccccc1)C1(C(=O)N2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000072155917 541790466 /nfs/dbraw/zinc/79/04/66/541790466.db2.gz WIXSXPTUPQYRSC-UHFFFAOYSA-N 2 1 363.505 2.130 50 0 FEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCOc1ccccc1)CC[NH+](C)CC2 ZINC000072470094 541818449 /nfs/dbraw/zinc/81/84/49/541818449.db2.gz UYPLEHAYDFKBNO-IBGZPJMESA-N 2 1 359.514 2.378 50 0 FEAAMP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000172809592 206282337 /nfs/dbraw/zinc/28/23/37/206282337.db2.gz FPQXTPGFNCGDRT-FQEVSTJZSA-N 2 1 359.514 2.400 50 0 FEAAMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000172809592 206282341 /nfs/dbraw/zinc/28/23/41/206282341.db2.gz FPQXTPGFNCGDRT-FQEVSTJZSA-N 2 1 359.514 2.400 50 0 FEAAMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000097358397 543010661 /nfs/dbraw/zinc/01/06/61/543010661.db2.gz BLBUSCOFWFCHSY-LJQANCHMSA-N 2 1 368.566 2.297 50 0 FEAAMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000097358397 543010663 /nfs/dbraw/zinc/01/06/63/543010663.db2.gz BLBUSCOFWFCHSY-LJQANCHMSA-N 2 1 368.566 2.297 50 0 FEAAMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000097358397 543010665 /nfs/dbraw/zinc/01/06/65/543010665.db2.gz BLBUSCOFWFCHSY-LJQANCHMSA-N 2 1 368.566 2.297 50 0 FEAAMP CC1(C(=O)NCc2cc3n(n2)CCC[N@H+](C2CCCCC2)C3)CC[NH2+]CC1 ZINC000082134656 520225168 /nfs/dbraw/zinc/22/51/68/520225168.db2.gz FRXGTBLGZNQBOZ-UHFFFAOYSA-N 2 1 373.545 2.427 50 0 FEAAMP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@@H+](C)CC(C)C)c2)CC1 ZINC000020168758 521687063 /nfs/dbraw/zinc/68/70/63/521687063.db2.gz XWLKMPFMAVYJDK-FQEVSTJZSA-N 2 1 363.546 2.152 50 0 FEAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@H+](C)CC(C)C)c2)CC1 ZINC000020168758 521687068 /nfs/dbraw/zinc/68/70/68/521687068.db2.gz XWLKMPFMAVYJDK-FQEVSTJZSA-N 2 1 363.546 2.152 50 0 FEAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+](C)CC(C)C)c2)CC1 ZINC000020168758 521687072 /nfs/dbraw/zinc/68/70/72/521687072.db2.gz XWLKMPFMAVYJDK-FQEVSTJZSA-N 2 1 363.546 2.152 50 0 FEAAMP c1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc(OCCC[NH+]2CCOCC2)c1 ZINC000244796118 526425164 /nfs/dbraw/zinc/42/51/64/526425164.db2.gz RTGROBDWYYWBBZ-NRFANRHFSA-N 2 1 373.541 2.458 50 0 FEAAMP c1cc(CN2CC[N@H+]3CCCC[C@H]3C2)cc(OCCC[NH+]2CCOCC2)c1 ZINC000244796118 526425168 /nfs/dbraw/zinc/42/51/68/526425168.db2.gz RTGROBDWYYWBBZ-NRFANRHFSA-N 2 1 373.541 2.458 50 0 FEAAMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091678309 527393069 /nfs/dbraw/zinc/39/30/69/527393069.db2.gz PMADDAZYIPRVNF-AZUAARDMSA-N 2 1 367.497 2.490 50 0 FEAAMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000091678309 527393076 /nfs/dbraw/zinc/39/30/76/527393076.db2.gz PMADDAZYIPRVNF-AZUAARDMSA-N 2 1 367.497 2.490 50 0 FEAAMP CC1(CO)CC[NH+](Cc2ccc(OCCC[NH+]3CCOCC3)cc2)CC1 ZINC000215125851 548668208 /nfs/dbraw/zinc/66/82/08/548668208.db2.gz MOYUEYLUYLYRNF-UHFFFAOYSA-N 2 1 362.514 2.382 50 0 FEAAMP O=C1[C@H](N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000252569086 549675213 /nfs/dbraw/zinc/67/52/13/549675213.db2.gz VYQAIBMJIACFCN-IHETXDGRSA-N 2 1 361.436 2.486 50 0 FEAAMP O=C(NCCC[NH+]1CCOCC1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299754939 553610454 /nfs/dbraw/zinc/61/04/54/553610454.db2.gz CXZQKUZJJHDLQO-ZCNNSNEGSA-N 2 1 357.498 2.051 50 0 FEAAMP O=C(NCCC[NH+]1CCOCC1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299754939 553610455 /nfs/dbraw/zinc/61/04/55/553610455.db2.gz CXZQKUZJJHDLQO-ZCNNSNEGSA-N 2 1 357.498 2.051 50 0 FEAAMP C[NH+]1CCC([N@@H+]2C[C@@H](COCc3ccncc3)C3(C2)CCOCC3)CC1 ZINC000409420259 558690824 /nfs/dbraw/zinc/69/08/24/558690824.db2.gz SSMXKRAPAPQZOG-IBGZPJMESA-N 2 1 359.514 2.421 50 0 FEAAMP C[NH+]1CCC([N@H+]2C[C@@H](COCc3ccncc3)C3(C2)CCOCC3)CC1 ZINC000409420259 558690827 /nfs/dbraw/zinc/69/08/27/558690827.db2.gz SSMXKRAPAPQZOG-IBGZPJMESA-N 2 1 359.514 2.421 50 0 FEAAMP Nc1nc([C@@H]2CCOC2)cc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000426573171 559738139 /nfs/dbraw/zinc/73/81/39/559738139.db2.gz OAGWAPOTFFIFIT-MRXNPFEDSA-N 2 1 371.460 2.414 50 0 FEAAMP Nc1nc(NCC2CC[NH+](Cc3ccccc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426693661 559740494 /nfs/dbraw/zinc/74/04/94/559740494.db2.gz FJUVCCNSFDKRRP-GOSISDBHSA-N 2 1 367.497 2.309 50 0 FEAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+](C3CSCCSC3)C2)CC1 ZINC000012475957 670002628 /nfs/dbraw/zinc/00/26/28/670002628.db2.gz XFDIKYQRJYLCCW-MRXNPFEDSA-N 2 1 371.616 2.101 50 0 FEAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+](C3CSCCSC3)C2)CC1 ZINC000012475957 670002631 /nfs/dbraw/zinc/00/26/31/670002631.db2.gz XFDIKYQRJYLCCW-MRXNPFEDSA-N 2 1 371.616 2.101 50 0 FEAAMP COc1cc(C[NH+]2CCSCC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012580710 539566131 /nfs/dbraw/zinc/56/61/31/539566131.db2.gz OXJNNKVSKKVVDN-KRWDZBQOSA-N 2 1 368.543 2.324 50 0 FEAAMP COc1cc(C[NH+]2CCSCC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012580710 539566136 /nfs/dbraw/zinc/56/61/36/539566136.db2.gz OXJNNKVSKKVVDN-KRWDZBQOSA-N 2 1 368.543 2.324 50 0 FEAAMP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](CCCF)CC2)C1 ZINC000071730317 541769430 /nfs/dbraw/zinc/76/94/30/541769430.db2.gz PICAIPIWUVUNRE-SFHVURJKSA-N 2 1 362.493 2.234 50 0 FEAAMP O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CC[NH+](CCCF)CC2)C1 ZINC000071730317 541769433 /nfs/dbraw/zinc/76/94/33/541769433.db2.gz PICAIPIWUVUNRE-SFHVURJKSA-N 2 1 362.493 2.234 50 0 FEAAMP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+](C3CCOCC3)CC2)OC1=O ZINC000072419717 541808235 /nfs/dbraw/zinc/80/82/35/541808235.db2.gz GTOFOKQXQBXVPH-UHFFFAOYSA-N 2 1 367.534 2.430 50 0 FEAAMP O[C@@]1(C[N@H+](CCc2c[nH]c3ccccc23)Cc2cccnc2)CC[NH2+]C1 ZINC000072423614 541810171 /nfs/dbraw/zinc/81/01/71/541810171.db2.gz OAQZFIIDBRLMSR-NRFANRHFSA-N 2 1 350.466 2.332 50 0 FEAAMP O[C@@]1(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2cccnc2)CC[NH2+]C1 ZINC000072423614 541810172 /nfs/dbraw/zinc/81/01/72/541810172.db2.gz OAQZFIIDBRLMSR-NRFANRHFSA-N 2 1 350.466 2.332 50 0 FEAAMP Cc1nnc(SCCC[NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)s1 ZINC000063883071 205295028 /nfs/dbraw/zinc/29/50/28/205295028.db2.gz LBFJMXHUTNOCKN-GDBMZVCRSA-N 2 1 356.561 2.298 50 0 FEAAMP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@H](O)[C@@H](N2CC[NH+](C)CC2)C1 ZINC000067675455 205382471 /nfs/dbraw/zinc/38/24/71/205382471.db2.gz OMARWXRUXCLHSX-SFTDATJTSA-N 2 1 369.509 2.031 50 0 FEAAMP CCOc1ccc2ccccc2c1C[N@H+]1C[C@H](O)[C@@H](N2CC[NH+](C)CC2)C1 ZINC000067675455 205382475 /nfs/dbraw/zinc/38/24/75/205382475.db2.gz OMARWXRUXCLHSX-SFTDATJTSA-N 2 1 369.509 2.031 50 0 FEAAMP C[NH+](C)[C@H]1CCN(C(=O)c2cc(C[N@@H+](C)CCc3ccccc3)on2)C1 ZINC000067847548 205396308 /nfs/dbraw/zinc/39/63/08/205396308.db2.gz ORXVQTFIJXRXCK-KRWDZBQOSA-N 2 1 356.470 2.125 50 0 FEAAMP C[C@@H]1C[C@H](N(C)C(=O)C[NH2+]C[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000237585292 206104988 /nfs/dbraw/zinc/10/49/88/206104988.db2.gz OTMPFKBIDHNECQ-RLLQIKCJSA-N 2 1 359.514 2.267 50 0 FEAAMP Cc1ccc2cc(C[N@@H+]3CC[C@@](O)(C[NH+]4CCCCC4)C3)c(=O)[nH]c2c1 ZINC000077541592 542395066 /nfs/dbraw/zinc/39/50/66/542395066.db2.gz QHKVQCNIMSQQKL-OAQYLSRUSA-N 2 1 355.482 2.259 50 0 FEAAMP Cc1ccc2cc(C[N@H+]3CC[C@@](O)(C[NH+]4CCCCC4)C3)c(=O)[nH]c2c1 ZINC000077541592 542395072 /nfs/dbraw/zinc/39/50/72/542395072.db2.gz QHKVQCNIMSQQKL-OAQYLSRUSA-N 2 1 355.482 2.259 50 0 FEAAMP Cc1cccc(N2CCN(C(=O)[C@H]3CC4(C[N@@H+]3C)CC[NH2+]CC4)CC2)c1C ZINC000072410930 136145503 /nfs/dbraw/zinc/14/55/03/136145503.db2.gz YFIYFQPPGCBDSC-HXUWFJFHSA-N 2 1 370.541 2.026 50 0 FEAAMP Cc1[nH+]ccn1CCC1CCN(c2nc(C)nc3c2CC[NH2+]CC3)CC1 ZINC000072430991 136147022 /nfs/dbraw/zinc/14/70/22/136147022.db2.gz LBBDMTQRLUETPR-UHFFFAOYSA-N 2 1 354.502 2.285 50 0 FEAAMP c1cc([C@@H]2C[N@H+](C3CC[NH2+]CC3)[C@H]3[C@@H]2N2CCC3CC2)cc2c1OCO2 ZINC000095378874 542964774 /nfs/dbraw/zinc/96/47/74/542964774.db2.gz GWNGMTQVEDNSDP-IOMROCGXSA-N 2 1 355.482 2.029 50 0 FEAAMP c1cc([C@@H]2CN(C3CC[NH2+]CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc2c1OCO2 ZINC000095378874 542964776 /nfs/dbraw/zinc/96/47/76/542964776.db2.gz GWNGMTQVEDNSDP-IOMROCGXSA-N 2 1 355.482 2.029 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1C ZINC000095383552 542966387 /nfs/dbraw/zinc/96/63/87/542966387.db2.gz PRTMUQAOLQUTRF-KRWDZBQOSA-N 2 1 351.458 2.143 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1C ZINC000095383552 542966390 /nfs/dbraw/zinc/96/63/90/542966390.db2.gz PRTMUQAOLQUTRF-KRWDZBQOSA-N 2 1 351.458 2.143 50 0 FEAAMP CN(CC[C@H]1CCCC[N@H+]1C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000095941566 542983816 /nfs/dbraw/zinc/98/38/16/542983816.db2.gz BWCRJRATABFZQV-UXHICEINSA-N 2 1 360.546 2.212 50 0 FEAAMP CCC[N@@H+]1CCCn2nc(CNC(=O)C[C@H](C)n3cc[nH+]c3C)cc2C1 ZINC000082160468 519854911 /nfs/dbraw/zinc/85/49/11/519854911.db2.gz VZNAQRQLZJLDKY-HNNXBMFYSA-N 2 1 358.490 2.271 50 0 FEAAMP CCC[N@H+]1CCCn2nc(CNC(=O)C[C@H](C)n3cc[nH+]c3C)cc2C1 ZINC000082160468 519854913 /nfs/dbraw/zinc/85/49/13/519854913.db2.gz VZNAQRQLZJLDKY-HNNXBMFYSA-N 2 1 358.490 2.271 50 0 FEAAMP C[NH+](C)CCCC(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082155813 524051752 /nfs/dbraw/zinc/05/17/52/524051752.db2.gz RIYMFPNZHHKSEP-UHFFFAOYSA-N 2 1 361.534 2.380 50 0 FEAAMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091548624 527392560 /nfs/dbraw/zinc/39/25/60/527392560.db2.gz UCEKONAXGMCLDN-VQTJNVASSA-N 2 1 367.497 2.490 50 0 FEAAMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000091548624 527392569 /nfs/dbraw/zinc/39/25/69/527392569.db2.gz UCEKONAXGMCLDN-VQTJNVASSA-N 2 1 367.497 2.490 50 0 FEAAMP CCN(C)c1cc[nH+]c(N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)n1 ZINC000095378828 535765615 /nfs/dbraw/zinc/76/56/15/535765615.db2.gz ZVJNGFKUDPNWEZ-INIZCTEOSA-N 2 1 357.506 2.075 50 0 FEAAMP COc1ccc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3C)C2)c(OCC[NH3+])c1 ZINC000426651235 559739579 /nfs/dbraw/zinc/73/95/79/559739579.db2.gz GKDUYDJEKKKYKY-MRXNPFEDSA-N 2 1 372.469 2.090 50 0 FEAAMP COCC[N@H+]1C[C@@H](CO)C2(C1)CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000169789527 672322496 /nfs/dbraw/zinc/32/24/96/672322496.db2.gz CQIDJGMDQZWCMZ-INIZCTEOSA-N 2 1 354.441 2.118 50 0 FEAAMP C[NH2+]CCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000013736221 539591312 /nfs/dbraw/zinc/59/13/12/539591312.db2.gz UYQXOUIIOVXQID-UHFFFAOYSA-N 2 1 368.441 2.162 50 0 FEAAMP O=C([C@@H]1CCC[N@H+](C2CCCCC2)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000065526024 541243454 /nfs/dbraw/zinc/24/34/54/541243454.db2.gz XUFIXVQSEZFBNC-GOSISDBHSA-N 2 1 363.546 2.354 50 0 FEAAMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000097815505 209198349 /nfs/dbraw/zinc/19/83/49/209198349.db2.gz CWMKXPXBXIRRHD-FQEVSTJZSA-N 2 1 371.525 2.268 50 0 FEAAMP COCC[N@@H+](C)CCN1CC2(CC[NH+](C3CCCCC3)CC2)OC1=O ZINC000072439990 541815161 /nfs/dbraw/zinc/81/51/61/541815161.db2.gz ZNFHDXZWJCOTLO-UHFFFAOYSA-N 2 1 353.507 2.184 50 0 FEAAMP Cc1ccc(NC(=O)N(C)C2CC[NH+](C)CC2)cc1NC(=O)C[NH+](C)C ZINC000096133255 209117497 /nfs/dbraw/zinc/11/74/97/209117497.db2.gz CSJQLHPMVKODDT-UHFFFAOYSA-N 2 1 361.490 2.053 50 0 FEAAMP C[C@H](C1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1)[NH+]1CCOCC1 ZINC000077344272 542370174 /nfs/dbraw/zinc/37/01/74/542370174.db2.gz RSTHHAGPVXGXFC-QGZVFWFLSA-N 2 1 359.518 2.010 50 0 FEAAMP [NH3+]CCc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)c1 ZINC000092020043 209011126 /nfs/dbraw/zinc/01/11/26/209011126.db2.gz ZBRSTKCOISNQPV-PZJWPPBQSA-N 2 1 364.493 2.206 50 0 FEAAMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095384489 209042174 /nfs/dbraw/zinc/04/21/74/209042174.db2.gz BRVSHJBYNMZKNL-FXAWDEMLSA-N 2 1 364.493 2.282 50 0 FEAAMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000095384489 209042177 /nfs/dbraw/zinc/04/21/77/209042177.db2.gz BRVSHJBYNMZKNL-FXAWDEMLSA-N 2 1 364.493 2.282 50 0 FEAAMP Cc1ccc(CSc2nc(N3CCO[C@@H](CC[NH3+])C3)cc(N)[nH+]2)cc1 ZINC000095361255 132207936 /nfs/dbraw/zinc/20/79/36/132207936.db2.gz HDLZXXAHBKFBLW-HNNXBMFYSA-N 2 1 359.499 2.214 50 0 FEAAMP Cc1ccc(CSc2nc(N)cc(N3CCO[C@@H](CC[NH3+])C3)[nH+]2)cc1 ZINC000095361255 132207938 /nfs/dbraw/zinc/20/79/38/132207938.db2.gz HDLZXXAHBKFBLW-HNNXBMFYSA-N 2 1 359.499 2.214 50 0 FEAAMP CC(C)([NH3+])C(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072158037 535194886 /nfs/dbraw/zinc/19/48/86/535194886.db2.gz IFLSSGMSUIWKOR-KRWDZBQOSA-N 2 1 364.921 2.190 50 0 FEAAMP C[C@H](C1CCN(C(=O)C[N@H+]2CCc3ccccc3C2)CC1)[NH+]1CCOCC1 ZINC000216439585 548677297 /nfs/dbraw/zinc/67/72/97/548677297.db2.gz WEGOLRFROUYPEC-GOSISDBHSA-N 2 1 371.525 2.004 50 0 FEAAMP CCn1c(C[NH2+]C2(c3ccccc3)CCOCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000222591333 548710816 /nfs/dbraw/zinc/71/08/16/548710816.db2.gz HXMCCQDVPZAQBE-WOVMCDHWSA-N 2 1 355.486 2.298 50 0 FEAAMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)C1 ZINC000685942549 571102619 /nfs/dbraw/zinc/10/26/19/571102619.db2.gz ORYOCHRRRCDWTO-OAHLLOKOSA-N 2 1 356.474 2.113 50 0 FEAAMP COCC[NH+]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)CC1 ZINC000426420413 571222906 /nfs/dbraw/zinc/22/29/06/571222906.db2.gz BYBBYYBYTVFUAG-FQEVSTJZSA-N 2 1 374.529 2.187 50 0 FEAAMP CCN1CCO[C@@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000174448242 672361269 /nfs/dbraw/zinc/36/12/69/672361269.db2.gz RYNZMHJWKJQBFK-GOSISDBHSA-N 2 1 365.905 2.141 50 0 FEAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccncc3)C2)CC1 ZINC000019220692 539653545 /nfs/dbraw/zinc/65/35/45/539653545.db2.gz GVEJTRJPULIRCA-LJQANCHMSA-N 2 1 358.530 2.325 50 0 FEAAMP CC[NH+]1CCN(C(=O)c2nn(CC[NH+]3CCCCC3)c3ccccc32)CC1 ZINC000064761050 541216715 /nfs/dbraw/zinc/21/67/15/541216715.db2.gz PSMRMAVHJAAZMK-UHFFFAOYSA-N 2 1 369.513 2.300 50 0 FEAAMP CC(C)C[N@@H+](C)CCCN1CC2(CCN([C@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072423373 541809675 /nfs/dbraw/zinc/80/96/75/541809675.db2.gz QBFODUIGRMHFFU-SFHVURJKSA-N 2 1 366.550 2.003 50 0 FEAAMP Cc1cc2nc(C)cc(N3CCC[N@H+](CCC[NH+]4CCCC4)CC3)n2n1 ZINC000072457035 541816592 /nfs/dbraw/zinc/81/65/92/541816592.db2.gz YFOQBVQHVNGMRL-UHFFFAOYSA-N 2 1 356.518 2.344 50 0 FEAAMP Cc1cc2nc(C)cc(N3CCC[N@@H+](CCC[NH+]4CCCC4)CC3)n2n1 ZINC000072457035 541816595 /nfs/dbraw/zinc/81/65/95/541816595.db2.gz YFOQBVQHVNGMRL-UHFFFAOYSA-N 2 1 356.518 2.344 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](Cc3ccccn3)CC2)n1C ZINC000096151967 209125089 /nfs/dbraw/zinc/12/50/89/209125089.db2.gz SWMJHZZESSRWDS-UHFFFAOYSA-N 2 1 351.458 2.143 50 0 FEAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NCCCO)CC2)CC1 ZINC000019228901 207649133 /nfs/dbraw/zinc/64/91/33/207649133.db2.gz APYBUXWHRSNEFY-UHFFFAOYSA-N 2 1 373.541 2.170 50 0 FEAAMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000299748133 208342171 /nfs/dbraw/zinc/34/21/71/208342171.db2.gz GEGXJXFHOJBJDR-YZLZLFLDSA-N 2 1 359.514 2.430 50 0 FEAAMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000299748133 208342176 /nfs/dbraw/zinc/34/21/76/208342176.db2.gz GEGXJXFHOJBJDR-YZLZLFLDSA-N 2 1 359.514 2.430 50 0 FEAAMP [NH3+]CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cc1 ZINC000092065211 209014536 /nfs/dbraw/zinc/01/45/36/209014536.db2.gz RTAVNCUUEKZPPB-TZIWHRDSSA-N 2 1 364.493 2.319 50 0 FEAAMP CC[NH+]1CCN(C[C@@H]2CN(c3cc(C)[nH+]c4ccccc43)C[C@@H]2CO)CC1 ZINC000095386469 209044637 /nfs/dbraw/zinc/04/46/37/209044637.db2.gz BJQGJCKZJMGJJN-RTBURBONSA-N 2 1 368.525 2.225 50 0 FEAAMP C[NH+](C)[C@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)c1ccc(F)cc1 ZINC000095382483 209042478 /nfs/dbraw/zinc/04/24/78/209042478.db2.gz NQAPYRFZKNCNOB-SFHVURJKSA-N 2 1 365.518 2.468 50 0 FEAAMP CC1(C)CCC[N@H+]1Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000095519425 209071927 /nfs/dbraw/zinc/07/19/27/209071927.db2.gz UUVPZPUJFPZSHG-IBGZPJMESA-N 2 1 362.514 2.257 50 0 FEAAMP CN(C)c1nccnc1N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095356011 132207139 /nfs/dbraw/zinc/20/71/39/132207139.db2.gz ISELKJBVSGPNDU-MRXNPFEDSA-N 2 1 357.506 2.075 50 0 FEAAMP CNc1nc(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)ncc1F ZINC000095525289 132214665 /nfs/dbraw/zinc/21/46/65/132214665.db2.gz GTVLFBUEOJDPEA-AWEZNQCLSA-N 2 1 361.469 2.190 50 0 FEAAMP O=C(CC[C@@H]1CCC[N@@H+](CCCO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095523735 209074451 /nfs/dbraw/zinc/07/44/51/209074451.db2.gz WXYZZJKBZBKXBA-NRFANRHFSA-N 2 1 373.541 2.205 50 0 FEAAMP O=C(CC[C@@H]1CCC[N@H+](CCCO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095523735 209074452 /nfs/dbraw/zinc/07/44/52/209074452.db2.gz WXYZZJKBZBKXBA-NRFANRHFSA-N 2 1 373.541 2.205 50 0 FEAAMP C[C@@H]1C[C@H](N(C)C(=O)C[NH2+]C[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000269265438 525414262 /nfs/dbraw/zinc/41/42/62/525414262.db2.gz OTMPFKBIDHNECQ-MISYRCLQSA-N 2 1 359.514 2.267 50 0 FEAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2csc(CC[NH3+])n2)cc1F ZINC000194831609 548537345 /nfs/dbraw/zinc/53/73/45/548537345.db2.gz JJEDEIZQRYOCGI-UHFFFAOYSA-N 2 1 359.430 2.208 50 0 FEAAMP Nc1nc([C@H]2CCOC2)cc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000426573169 559738167 /nfs/dbraw/zinc/73/81/67/559738167.db2.gz OAGWAPOTFFIFIT-INIZCTEOSA-N 2 1 371.460 2.414 50 0 FEAAMP C[N@H+]1CC[C@H](CNC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000426582763 559738225 /nfs/dbraw/zinc/73/82/25/559738225.db2.gz GLIZPMOZANZXFO-LJQANCHMSA-N 2 1 358.530 2.287 50 0 FEAAMP C[N@H+](Cc1ccccc1)C1CCN(c2cc([C@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426397618 571136350 /nfs/dbraw/zinc/13/63/50/571136350.db2.gz QWMPFGLHDVLGSV-KRWDZBQOSA-N 2 1 367.497 2.664 50 0 FEAAMP C[N@@H+](Cc1ccccc1)C1CCN(c2cc([C@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426397618 571136352 /nfs/dbraw/zinc/13/63/52/571136352.db2.gz QWMPFGLHDVLGSV-KRWDZBQOSA-N 2 1 367.497 2.664 50 0 FEAAMP O=C(C[N@H+]1CCc2ccccc2C1)NC[C@H]1CCCN(c2ccccn2)C1 ZINC000230546046 571309432 /nfs/dbraw/zinc/30/94/32/571309432.db2.gz HUXXOHZUMDTZQS-GOSISDBHSA-N 2 1 364.493 2.473 50 0 FEAAMP Cc1ccccc1C[N@H+]1CC[C@@H](CNc2ncnc3c2CC[NH2+]CC3)C1 ZINC000072422755 541809066 /nfs/dbraw/zinc/80/90/66/541809066.db2.gz INGIFQBGNNMCOP-KRWDZBQOSA-N 2 1 351.498 2.407 50 0 FEAAMP Cc1cc(C[NH+]2CCC3(CN(CC[N@@H+](C)CC(C)C)C(=O)O3)CC2)on1 ZINC000072473400 541818688 /nfs/dbraw/zinc/81/86/88/541818688.db2.gz DAGDYSDNZCCKTL-UHFFFAOYSA-N 2 1 364.490 2.358 50 0 FEAAMP Cc1cc(C[NH+]2CCC3(CN(CC[N@H+](C)CC(C)C)C(=O)O3)CC2)on1 ZINC000072473400 541818693 /nfs/dbraw/zinc/81/86/93/541818693.db2.gz DAGDYSDNZCCKTL-UHFFFAOYSA-N 2 1 364.490 2.358 50 0 FEAAMP Cc1c(C)n(CCC[NH+](C)C)c2ncnc(NCCC[NH+]3CCOCC3)c12 ZINC000005346078 207094148 /nfs/dbraw/zinc/09/41/48/207094148.db2.gz KNDMHSYVRYKGEG-UHFFFAOYSA-N 2 1 374.533 2.134 50 0 FEAAMP CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(Cn4cc[nH+]c4C(C)C)n[nH]3)C2)C1 ZINC000012302969 207355201 /nfs/dbraw/zinc/35/52/01/207355201.db2.gz SEOVKYYLIPOYTH-HXUWFJFHSA-N 2 1 370.501 2.336 50 0 FEAAMP CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(Cn4cc[nH+]c4C(C)C)n[nH]3)C2)C1 ZINC000012302969 207355205 /nfs/dbraw/zinc/35/52/05/207355205.db2.gz SEOVKYYLIPOYTH-HXUWFJFHSA-N 2 1 370.501 2.336 50 0 FEAAMP CC[NH+](CC)CCSc1ccc(C(=O)N2CC[NH+](CC)CC2)cn1 ZINC000021663600 207776454 /nfs/dbraw/zinc/77/64/54/207776454.db2.gz PLHYYBYPGQYWTN-UHFFFAOYSA-N 2 1 350.532 2.293 50 0 FEAAMP Cc1ccccc1CSc1nc(NC[C@]2(O)CCC[NH2+]C2)cc(N)[nH+]1 ZINC000095385112 209042165 /nfs/dbraw/zinc/04/21/65/209042165.db2.gz BAUISHVBOQWZFC-SFHVURJKSA-N 2 1 359.499 2.186 50 0 FEAAMP Cc1ccccc1CSc1nc(N)cc(NC[C@]2(O)CCC[NH2+]C2)[nH+]1 ZINC000095385112 209042167 /nfs/dbraw/zinc/04/21/67/209042167.db2.gz BAUISHVBOQWZFC-SFHVURJKSA-N 2 1 359.499 2.186 50 0 FEAAMP Cc1ccc(CSc2nc(N3CCO[C@H](CC[NH3+])C3)cc(N)[nH+]2)cc1 ZINC000095361254 132207843 /nfs/dbraw/zinc/20/78/43/132207843.db2.gz HDLZXXAHBKFBLW-OAHLLOKOSA-N 2 1 359.499 2.214 50 0 FEAAMP Cc1ccc(CSc2nc(N)cc(N3CCO[C@H](CC[NH3+])C3)[nH+]2)cc1 ZINC000095361254 132207845 /nfs/dbraw/zinc/20/78/45/132207845.db2.gz HDLZXXAHBKFBLW-OAHLLOKOSA-N 2 1 359.499 2.214 50 0 FEAAMP COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCC(Cn3cc[nH+]c3C)CC2)n1 ZINC000244899341 132291692 /nfs/dbraw/zinc/29/16/92/132291692.db2.gz ZIBPYSOHXOICDU-QAQDUYKDSA-N 2 1 370.501 2.249 50 0 FEAAMP C[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CC(=O)N3CCOCC3)CC2)C1 ZINC000091694717 542820645 /nfs/dbraw/zinc/82/06/45/542820645.db2.gz HXNXMSHKKMLBBY-HXUWFJFHSA-N 2 1 371.525 2.047 50 0 FEAAMP Cc1ncccc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420805 543289658 /nfs/dbraw/zinc/28/96/58/543289658.db2.gz RBFVDFJEMGLWOU-FQEVSTJZSA-N 2 1 352.482 2.377 50 0 FEAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3nc4ccccc4o3)C2)CC1 ZINC000299786409 553614746 /nfs/dbraw/zinc/61/47/46/553614746.db2.gz XFDBMRYERZHAJE-INIZCTEOSA-N 2 1 370.497 2.293 50 0 FEAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCCc3nc4ccccc4o3)C2)CC1 ZINC000299786409 553614749 /nfs/dbraw/zinc/61/47/49/553614749.db2.gz XFDBMRYERZHAJE-INIZCTEOSA-N 2 1 370.497 2.293 50 0 FEAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccc(F)c(F)c3)C2)CC1 ZINC000011838972 539535992 /nfs/dbraw/zinc/53/59/92/539535992.db2.gz LVUSOKOAIKMMMW-OAHLLOKOSA-N 2 1 351.441 2.387 50 0 FEAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccc(F)c(F)c3)C2)CC1 ZINC000011838972 539535997 /nfs/dbraw/zinc/53/59/97/539535997.db2.gz LVUSOKOAIKMMMW-OAHLLOKOSA-N 2 1 351.441 2.387 50 0 FEAAMP Cc1ccc(C2(C[N@H+]3CCC[C@H](CN4CCCC4=O)C3)CC[NH2+]CC2)nc1 ZINC000065501494 541241523 /nfs/dbraw/zinc/24/15/23/541241523.db2.gz QRKSBUWDODEMQX-IBGZPJMESA-N 2 1 370.541 2.346 50 0 FEAAMP C[N@@H+](CCc1ccccc1)Cc1cc(C(=O)N2CC[NH+]3CCC[C@@H]3C2)no1 ZINC000067542113 541477933 /nfs/dbraw/zinc/47/79/33/541477933.db2.gz ILBXDEZLMOIEDS-GOSISDBHSA-N 2 1 368.481 2.269 50 0 FEAAMP C[NH+](CCc1ccccc1)Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)no1 ZINC000067542113 541477934 /nfs/dbraw/zinc/47/79/34/541477934.db2.gz ILBXDEZLMOIEDS-GOSISDBHSA-N 2 1 368.481 2.269 50 0 FEAAMP C[NH+](CCc1ccccc1)Cc1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)no1 ZINC000067542113 541477936 /nfs/dbraw/zinc/47/79/36/541477936.db2.gz ILBXDEZLMOIEDS-GOSISDBHSA-N 2 1 368.481 2.269 50 0 FEAAMP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000072312743 541798605 /nfs/dbraw/zinc/79/86/05/541798605.db2.gz CFVLQHHLWALZAP-KZNAEPCWSA-N 2 1 351.535 2.257 50 0 FEAAMP Cc1cc(C)cc(OCCN(C)C(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c1 ZINC000072408609 541806389 /nfs/dbraw/zinc/80/63/89/541806389.db2.gz GHZAJGDHOUEMDN-LJQANCHMSA-N 2 1 359.514 2.215 50 0 FEAAMP C[N@H+]1CC2(C[C@@H]1C(=O)NCCOCc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000072475361 541819320 /nfs/dbraw/zinc/81/93/20/541819320.db2.gz XIQMGWNMBMQYDW-QGZVFWFLSA-N 2 1 365.905 2.047 50 0 FEAAMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(=O)N(C3CC3)C3CCCC3)C2)CC1 ZINC000095405706 209049447 /nfs/dbraw/zinc/04/94/47/209049447.db2.gz WRWJJKZWBICWJV-HXUWFJFHSA-N 2 1 362.562 2.022 50 0 FEAAMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)N(C3CC3)C3CCCC3)C2)CC1 ZINC000095405706 209049450 /nfs/dbraw/zinc/04/94/50/209049450.db2.gz WRWJJKZWBICWJV-HXUWFJFHSA-N 2 1 362.562 2.022 50 0 FEAAMP Cc1[nH+]ccn1CCC1CCN(c2cc([C@H]3C[C@H]([NH3+])C3)nc(N)n2)CC1 ZINC000223705394 132280033 /nfs/dbraw/zinc/28/00/33/132280033.db2.gz ZUMJEGNBNIUEPE-IYBDPMFKSA-N 2 1 355.490 2.075 50 0 FEAAMP CC(=O)c1cc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH+](C)C)cs1 ZINC000091326448 542805242 /nfs/dbraw/zinc/80/52/42/542805242.db2.gz JXYHGZXJTPHHBU-MSOLQXFVSA-N 2 1 366.527 2.244 50 0 FEAAMP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3cccc(Cl)c3F)C[C@@H]2CO)CC1 ZINC000091550549 542812303 /nfs/dbraw/zinc/81/23/03/542812303.db2.gz DTMZJYMRORNSIW-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3cccc(Cl)c3F)C[C@@H]2CO)CC1 ZINC000091550549 542812306 /nfs/dbraw/zinc/81/23/06/542812306.db2.gz DTMZJYMRORNSIW-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@@H]2CO)CC1 ZINC000091550549 542812310 /nfs/dbraw/zinc/81/23/10/542812310.db2.gz DTMZJYMRORNSIW-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@@H]2CO)CC1 ZINC000091550549 542812313 /nfs/dbraw/zinc/81/23/13/542812313.db2.gz DTMZJYMRORNSIW-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H](C)O1 ZINC000262171322 328847884 /nfs/dbraw/zinc/84/78/84/328847884.db2.gz ATFJMLAJHMURQG-KOGRVDFBSA-N 2 1 363.546 2.240 50 0 FEAAMP CCc1[nH+]ccn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091655986 522582924 /nfs/dbraw/zinc/58/29/24/522582924.db2.gz YREPWZXJLDILOR-RBUKOAKNSA-N 2 1 367.497 2.354 50 0 FEAAMP CCc1[nH+]ccn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000091655986 522582927 /nfs/dbraw/zinc/58/29/27/522582927.db2.gz YREPWZXJLDILOR-RBUKOAKNSA-N 2 1 367.497 2.354 50 0 FEAAMP CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(CN3CC[NH+](C)CC3)c(C)cc2C)C1 ZINC000216062956 548676409 /nfs/dbraw/zinc/67/64/09/548676409.db2.gz WDMVDXOCIZUCLI-JOCHJYFZSA-N 2 1 372.557 2.151 50 0 FEAAMP C[C@@H](C1CCN(C(=O)C[N@H+]2CCc3ccccc3C2)CC1)[NH+]1CCOCC1 ZINC000216439547 548678009 /nfs/dbraw/zinc/67/80/09/548678009.db2.gz WEGOLRFROUYPEC-SFHVURJKSA-N 2 1 371.525 2.004 50 0 FEAAMP Cc1cc(C)c(NC(=O)CC[N@@H+]2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000244723745 548893788 /nfs/dbraw/zinc/89/37/88/548893788.db2.gz MGPZHCQSTNMJOA-KXBFYZLASA-N 2 1 365.905 2.332 50 0 FEAAMP Cc1cc(C)c(NC(=O)CC[N@H+]2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000244723745 548893791 /nfs/dbraw/zinc/89/37/91/548893791.db2.gz MGPZHCQSTNMJOA-KXBFYZLASA-N 2 1 365.905 2.332 50 0 FEAAMP CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+][C@@H](C)C3)C2)nc2ccccc21 ZINC000253603278 549698400 /nfs/dbraw/zinc/69/84/00/549698400.db2.gz JPOIRTQITQUKTJ-DLBZAZTESA-N 2 1 369.513 2.089 50 0 FEAAMP [NH3+]CCCOc1ccc(F)cc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000426496606 559735964 /nfs/dbraw/zinc/73/59/64/559735964.db2.gz AUKJNUBVNRJJJC-UHFFFAOYSA-N 2 1 371.456 2.341 50 0 FEAAMP [NH3+]CCCOc1ccc(F)cc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000426496606 559735965 /nfs/dbraw/zinc/73/59/65/559735965.db2.gz AUKJNUBVNRJJJC-UHFFFAOYSA-N 2 1 371.456 2.341 50 0 FEAAMP Cc1ccsc1CN(CC[NH+](C)C)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000426535134 559737080 /nfs/dbraw/zinc/73/70/80/559737080.db2.gz KYDKXVVKXAYYPD-CQSZACIVSA-N 2 1 361.515 2.501 50 0 FEAAMP Cc1cccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c1 ZINC000016606316 539634731 /nfs/dbraw/zinc/63/47/31/539634731.db2.gz FVZDPQFTMVDSMX-UHFFFAOYSA-N 2 1 359.514 2.046 50 0 FEAAMP CCN1CCC[C@@H]1C[N@@H+](CC1CC[NH+](CCOC)CC1)CC(C)(C)CO ZINC000020779815 539677677 /nfs/dbraw/zinc/67/76/77/539677677.db2.gz COYQAICJGATTEW-HXUWFJFHSA-N 2 1 369.594 2.150 50 0 FEAAMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc2onc(C)c21 ZINC000058377915 540841251 /nfs/dbraw/zinc/84/12/51/540841251.db2.gz CWGZFTQLCLSIEG-INIZCTEOSA-N 2 1 373.501 2.328 50 0 FEAAMP CC[N@@H+](Cc1c(C(=O)N2CCC[NH+](C)CC2)nc2sccn12)C1CC1 ZINC000071708153 541768660 /nfs/dbraw/zinc/76/86/60/541768660.db2.gz PCJSYNKWWGLQQG-UHFFFAOYSA-N 2 1 361.515 2.158 50 0 FEAAMP CC[NH+](Cc1c(C(=O)N2CCC[N@H+](C)CC2)nc2sccn12)C1CC1 ZINC000071708153 541768663 /nfs/dbraw/zinc/76/86/63/541768663.db2.gz PCJSYNKWWGLQQG-UHFFFAOYSA-N 2 1 361.515 2.158 50 0 FEAAMP CC[NH+](Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12)C1CC1 ZINC000071708153 541768666 /nfs/dbraw/zinc/76/86/66/541768666.db2.gz PCJSYNKWWGLQQG-UHFFFAOYSA-N 2 1 361.515 2.158 50 0 FEAAMP Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2)CC3 ZINC000072412076 541807582 /nfs/dbraw/zinc/80/75/82/541807582.db2.gz WOVDNLUHZWDYMR-FQEVSTJZSA-N 2 1 366.509 2.435 50 0 FEAAMP C[N@H+]1CCC[C@@H]1CCNc1nc(-c2ccncc2)nc2c1CC[NH2+]CC2 ZINC000072453444 541815886 /nfs/dbraw/zinc/81/58/86/541815886.db2.gz YVPCQUUWSKVOKJ-MRXNPFEDSA-N 2 1 352.486 2.123 50 0 FEAAMP CC(C)C[N@@H+](C)CCN1CC2(CC[NH+]([C@H]3CCSC3)CC2)OC1=O ZINC000072480179 541821480 /nfs/dbraw/zinc/82/14/80/541821480.db2.gz LAXWRDDXIUTTFN-INIZCTEOSA-N 2 1 355.548 2.367 50 0 FEAAMP CC(C)c1[nH+]ccn1[C@@H](C)c1nc(CC2CC[NH+](C)CC2)nn1CCO ZINC000096136629 209119039 /nfs/dbraw/zinc/11/90/39/209119039.db2.gz RRWNDHBCEBEWPA-HNNXBMFYSA-N 2 1 360.506 2.084 50 0 FEAAMP O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CC[NH+](CCn2cccc2)CC1 ZINC000095370000 209032806 /nfs/dbraw/zinc/03/28/06/209032806.db2.gz VDCAMMQKRSBBMJ-LJQANCHMSA-N 2 1 370.497 2.138 50 0 FEAAMP O=C([C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CC[NH+](CCn2cccc2)CC1 ZINC000095370000 209032808 /nfs/dbraw/zinc/03/28/08/209032808.db2.gz VDCAMMQKRSBBMJ-LJQANCHMSA-N 2 1 370.497 2.138 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1C ZINC000095383551 209041606 /nfs/dbraw/zinc/04/16/06/209041606.db2.gz PRTMUQAOLQUTRF-QGZVFWFLSA-N 2 1 351.458 2.143 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1C ZINC000095383551 209041608 /nfs/dbraw/zinc/04/16/08/209041608.db2.gz PRTMUQAOLQUTRF-QGZVFWFLSA-N 2 1 351.458 2.143 50 0 FEAAMP CNC(=O)C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000095517063 209070087 /nfs/dbraw/zinc/07/00/87/209070087.db2.gz NTFMNFGMKZWSSC-NRFANRHFSA-N 2 1 373.541 2.434 50 0 FEAAMP OCC[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095520838 209072013 /nfs/dbraw/zinc/07/20/13/209072013.db2.gz FVFSULRYPBUPGS-JOCHJYFZSA-N 2 1 358.526 2.339 50 0 FEAAMP CCCC[N@H+]1CCc2nc[nH]c2C12CCN(c1cc(C)[nH+]c(N)n1)CC2 ZINC000091876513 132204159 /nfs/dbraw/zinc/20/41/59/132204159.db2.gz ASKRMLMBLWENBB-UHFFFAOYSA-N 2 1 355.490 2.244 50 0 FEAAMP Cc1nc(C)c(C[N@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)s1 ZINC000091550948 542812334 /nfs/dbraw/zinc/81/23/34/542812334.db2.gz ICPFWIJLJOLYKJ-GOSISDBHSA-N 2 1 353.532 2.055 50 0 FEAAMP Cc1nc(C)c(C[N@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)s1 ZINC000091550946 542812501 /nfs/dbraw/zinc/81/25/01/542812501.db2.gz ICPFWIJLJOLYKJ-SFHVURJKSA-N 2 1 353.532 2.055 50 0 FEAAMP COc1ccc(CC[N@H+](C)[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1OC ZINC000072127232 136142242 /nfs/dbraw/zinc/14/22/42/136142242.db2.gz JQQWDDHTPRRKBH-INIZCTEOSA-N 2 1 371.485 2.219 50 0 FEAAMP COc1ccc(CC[N@@H+](C)[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1OC ZINC000072127232 136142243 /nfs/dbraw/zinc/14/22/43/136142243.db2.gz JQQWDDHTPRRKBH-INIZCTEOSA-N 2 1 371.485 2.219 50 0 FEAAMP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@@H+](C)CC(C)C)c2)CC1 ZINC000020168754 521684975 /nfs/dbraw/zinc/68/49/75/521684975.db2.gz XWLKMPFMAVYJDK-HXUWFJFHSA-N 2 1 363.546 2.152 50 0 FEAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+](C)CC(C)C)c2)CC1 ZINC000020168754 521684983 /nfs/dbraw/zinc/68/49/83/521684983.db2.gz XWLKMPFMAVYJDK-HXUWFJFHSA-N 2 1 363.546 2.152 50 0 FEAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+](C)CC(C)C)c2)CC1 ZINC000020168754 521684987 /nfs/dbraw/zinc/68/49/87/521684987.db2.gz XWLKMPFMAVYJDK-HXUWFJFHSA-N 2 1 363.546 2.152 50 0 FEAAMP Cc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1 ZINC000020102856 524435105 /nfs/dbraw/zinc/43/51/05/524435105.db2.gz XIWOGASIEDRBKW-UHFFFAOYSA-N 2 1 359.514 2.046 50 0 FEAAMP CC[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC[C@H]1[NH3+] ZINC000253370458 549685010 /nfs/dbraw/zinc/68/50/10/549685010.db2.gz RDLFOMPUFCHVNJ-VQIMIIECSA-N 2 1 365.543 2.207 50 0 FEAAMP Cc1[nH+]ccn1CC[C@@H](NC(=O)CN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000299765489 553612531 /nfs/dbraw/zinc/61/25/31/553612531.db2.gz BIRYZQACGSZIBP-HXUWFJFHSA-N 2 1 369.513 2.077 50 0 FEAAMP Cc1[nH+]ccn1CC[C@@H](NC(=O)CN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000299765489 553612532 /nfs/dbraw/zinc/61/25/32/553612532.db2.gz BIRYZQACGSZIBP-HXUWFJFHSA-N 2 1 369.513 2.077 50 0 FEAAMP O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N1CC[NH+](CCCCO)CC1 ZINC000299779181 553613584 /nfs/dbraw/zinc/61/35/84/553613584.db2.gz SMWXQWVDFPLQJR-HBMCJLEFSA-N 2 1 371.525 2.129 50 0 FEAAMP O=C([C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12)N1CC[NH+](CCCCO)CC1 ZINC000299779181 553613587 /nfs/dbraw/zinc/61/35/87/553613587.db2.gz SMWXQWVDFPLQJR-HBMCJLEFSA-N 2 1 371.525 2.129 50 0 FEAAMP CSCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000299796397 553615854 /nfs/dbraw/zinc/61/58/54/553615854.db2.gz NPUFFLQKGFROGR-INIZCTEOSA-N 2 1 357.470 2.126 50 0 FEAAMP O=C(CC1CC[NH+](Cc2ccccc2)CC1)NCC[N@@H+]1CCCC[C@H]1CO ZINC000299802203 553616683 /nfs/dbraw/zinc/61/66/83/553616683.db2.gz YCOKYPLEZAFHFP-NRFANRHFSA-N 2 1 373.541 2.252 50 0 FEAAMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000408525433 558685962 /nfs/dbraw/zinc/68/59/62/558685962.db2.gz GSABEQFFZXQTPV-ZVDOUQERSA-N 2 1 372.557 2.484 50 0 FEAAMP COc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OCC[NH3+])c1 ZINC000426581326 559738252 /nfs/dbraw/zinc/73/82/52/559738252.db2.gz SPJQIWJUZZTPKU-QGZVFWFLSA-N 2 1 369.465 2.037 50 0 FEAAMP CC(C)(C)C[N@H+]1CCN(C2CC[NH+](Cc3ccccn3)CC2)C[C@H]1CCO ZINC000104343491 570859138 /nfs/dbraw/zinc/85/91/38/570859138.db2.gz SRVNFTTXZDQRHU-OAQYLSRUSA-N 2 1 374.573 2.461 50 0 FEAAMP CC(C)[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000012716009 539571278 /nfs/dbraw/zinc/57/12/78/539571278.db2.gz CINKTDOZVHODLX-LJQANCHMSA-N 2 1 364.578 2.172 50 0 FEAAMP CC(C)[NH+]1CCC(CC(=O)N[C@@H]2CCCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000012716009 539571281 /nfs/dbraw/zinc/57/12/81/539571281.db2.gz CINKTDOZVHODLX-LJQANCHMSA-N 2 1 364.578 2.172 50 0 FEAAMP C[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]Cc3ccccc3)s2)CC1 ZINC000015728191 539622649 /nfs/dbraw/zinc/62/26/49/539622649.db2.gz UWNRPPNYXPYACB-UHFFFAOYSA-N 2 1 368.510 2.370 50 0 FEAAMP CNc1nc(N2CCC(CC(=O)NCC[NH+]3CCCCCC3)CC2)cc[nH+]1 ZINC000065282116 541232829 /nfs/dbraw/zinc/23/28/29/541232829.db2.gz ONIYPBLCVLUSMX-UHFFFAOYSA-N 2 1 374.533 2.117 50 0 FEAAMP C[NH+]1CCC(Cc2noc(C3CCN(C4CC[NH+](C)CC4)CC3)n2)CC1 ZINC000067460411 541466970 /nfs/dbraw/zinc/46/69/70/541466970.db2.gz BNFMZEAJJZSCAP-UHFFFAOYSA-N 2 1 361.534 2.228 50 0 FEAAMP COc1ccc(OC)c([C@H]2CC[N@H+](Cc3cc4n(n3)CCC[NH2+]C4)C2)c1 ZINC000072144985 541787837 /nfs/dbraw/zinc/78/78/37/541787837.db2.gz SXTAYMOICORYBS-HNNXBMFYSA-N 2 1 356.470 2.383 50 0 FEAAMP COc1ccc(OC)c([C@H]2CC[N@@H+](Cc3cc4n(n3)CCC[NH2+]C4)C2)c1 ZINC000072144985 541787839 /nfs/dbraw/zinc/78/78/39/541787839.db2.gz SXTAYMOICORYBS-HNNXBMFYSA-N 2 1 356.470 2.383 50 0 FEAAMP C[N@@H+](CCc1ccccc1)C1(C(=O)N[C@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000072161530 541792637 /nfs/dbraw/zinc/79/26/37/541792637.db2.gz CWGAPYNSADUTOL-NRFANRHFSA-N 2 1 363.505 2.177 50 0 FEAAMP O=C(CC[N@@H+]1CCCn2nc(C[NH+]3CCCC3)cc2C1)Nc1cccnc1 ZINC000072165023 541793939 /nfs/dbraw/zinc/79/39/39/541793939.db2.gz JYUNYHPEJGNQGF-UHFFFAOYSA-N 2 1 368.485 2.108 50 0 FEAAMP O=C(CC[N@H+]1CCCn2nc(C[NH+]3CCCC3)cc2C1)Nc1cccnc1 ZINC000072165023 541793941 /nfs/dbraw/zinc/79/39/41/541793941.db2.gz JYUNYHPEJGNQGF-UHFFFAOYSA-N 2 1 368.485 2.108 50 0 FEAAMP CC[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC[C@@H]1[NH3+] ZINC000097165810 209174841 /nfs/dbraw/zinc/17/48/41/209174841.db2.gz RDLFOMPUFCHVNJ-APWZRJJASA-N 2 1 365.543 2.207 50 0 FEAAMP CCc1[nH+]ccn1CCC(=O)NC[C@@H]1CCC2(CC[NH+](C(C)C)CC2)O1 ZINC000299766685 206638205 /nfs/dbraw/zinc/63/82/05/206638205.db2.gz DYIPJEPFZMOXRG-KRWDZBQOSA-N 2 1 362.518 2.374 50 0 FEAAMP COCC[N@H+](C)CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[NH+](C)C2 ZINC000095353201 209022436 /nfs/dbraw/zinc/02/24/36/209022436.db2.gz GXGICASDMZIBKU-HXUWFJFHSA-N 2 1 373.541 2.293 50 0 FEAAMP COCC[N@@H+](C)CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[NH+](C)C2 ZINC000095353201 209022439 /nfs/dbraw/zinc/02/24/39/209022439.db2.gz GXGICASDMZIBKU-HXUWFJFHSA-N 2 1 373.541 2.293 50 0 FEAAMP COCC[NH+](C)CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000095353201 209022442 /nfs/dbraw/zinc/02/24/42/209022442.db2.gz GXGICASDMZIBKU-HXUWFJFHSA-N 2 1 373.541 2.293 50 0 FEAAMP COCC[NH+](C)CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000095353201 209022446 /nfs/dbraw/zinc/02/24/46/209022446.db2.gz GXGICASDMZIBKU-HXUWFJFHSA-N 2 1 373.541 2.293 50 0 FEAAMP CC[N@@H+](C)C(C)(C)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000095432804 209049897 /nfs/dbraw/zinc/04/98/97/209049897.db2.gz YAZYADOJEYDAHD-UHFFFAOYSA-N 2 1 360.546 2.171 50 0 FEAAMP COc1ccc([C@H]2CN(C(=O)C[N@H+](C)Cc3ccc(F)cc3)C[C@@H]2[NH3+])cc1 ZINC000091829582 542827561 /nfs/dbraw/zinc/82/75/61/542827561.db2.gz UISBURVDCWOURH-UXHICEINSA-N 2 1 371.456 2.219 50 0 FEAAMP COc1ccc([C@H]2CN(C(=O)C[N@@H+](C)Cc3ccc(F)cc3)C[C@@H]2[NH3+])cc1 ZINC000091829582 542827562 /nfs/dbraw/zinc/82/75/62/542827562.db2.gz UISBURVDCWOURH-UXHICEINSA-N 2 1 371.456 2.219 50 0 FEAAMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H](CC)[NH+](C)C)CC2)cs1 ZINC000124528133 543827555 /nfs/dbraw/zinc/82/75/55/543827555.db2.gz OZLQZJHEPAGALM-INIZCTEOSA-N 2 1 352.548 2.374 50 0 FEAAMP CSCCC[NH+]1CCC2(CC1)CC[N@H+](Cc1nc(C)c[nH]1)C[C@@H]2CO ZINC000097815464 525446188 /nfs/dbraw/zinc/44/61/88/525446188.db2.gz GEQPZZLSLISCMM-QGZVFWFLSA-N 2 1 366.575 2.368 50 0 FEAAMP CSCCC[NH+]1CCC2(CC1)CC[N@@H+](Cc1nc(C)c[nH]1)C[C@@H]2CO ZINC000097815464 525446195 /nfs/dbraw/zinc/44/61/95/525446195.db2.gz GEQPZZLSLISCMM-QGZVFWFLSA-N 2 1 366.575 2.368 50 0 FEAAMP O=C(NCC[N@@H+]1CCCC[C@@H]1CO)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000091651107 526310740 /nfs/dbraw/zinc/31/07/40/526310740.db2.gz MUDJGEFCLDRLBE-HXUWFJFHSA-N 2 1 359.514 2.249 50 0 FEAAMP OC[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(F)c2)C[C@H]1C[NH+]1CCCC1 ZINC000091645870 527619634 /nfs/dbraw/zinc/61/96/34/527619634.db2.gz XDXGTUKZISHYJQ-QZTJIDSGSA-N 2 1 358.461 2.352 50 0 FEAAMP OC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(F)c2)C[C@H]1C[NH+]1CCCC1 ZINC000091645870 527619639 /nfs/dbraw/zinc/61/96/39/527619639.db2.gz XDXGTUKZISHYJQ-QZTJIDSGSA-N 2 1 358.461 2.352 50 0 FEAAMP c1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc(OCCC[NH+]2CCOCC2)c1 ZINC000215133492 548670015 /nfs/dbraw/zinc/67/00/15/548670015.db2.gz RTGROBDWYYWBBZ-OAQYLSRUSA-N 2 1 373.541 2.458 50 0 FEAAMP c1cc(CN2CC[N@H+]3CCCC[C@@H]3C2)cc(OCCC[NH+]2CCOCC2)c1 ZINC000215133492 548670018 /nfs/dbraw/zinc/67/00/18/548670018.db2.gz RTGROBDWYYWBBZ-OAQYLSRUSA-N 2 1 373.541 2.458 50 0 FEAAMP Cc1nnc([C@@H]2CC3(C[N@@H+]2CCO)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000257190090 549714590 /nfs/dbraw/zinc/71/45/90/549714590.db2.gz LEGKLZXCTWEYTR-SFHVURJKSA-N 2 1 356.470 2.400 50 0 FEAAMP Cc1nnc([C@@H]2CC3(C[N@H+]2CCO)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000257190090 549714593 /nfs/dbraw/zinc/71/45/93/549714593.db2.gz LEGKLZXCTWEYTR-SFHVURJKSA-N 2 1 356.470 2.400 50 0 FEAAMP O=C(NCC[N@@H+]1CCC[C@H](CO)C1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299763488 553611660 /nfs/dbraw/zinc/61/16/60/553611660.db2.gz NSBBHROQQJHTHJ-IBGZPJMESA-N 2 1 374.529 2.498 50 0 FEAAMP CC(C)C[N@H+]1CC[C@@H](CN(C)C(=O)c2cc(F)ccc2OCC[NH3+])C1 ZINC000426728274 559740952 /nfs/dbraw/zinc/74/09/52/559740952.db2.gz LYXNFMHNYRFQSA-HNNXBMFYSA-N 2 1 351.466 2.213 50 0 FEAAMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1OCCN1CCOCC1)C2 ZINC000216011983 568100580 /nfs/dbraw/zinc/10/05/80/568100580.db2.gz QZTDFZLZGOSUAU-JOCHJYFZSA-N 3 1 373.541 2.315 50 0 FEAAMP COc1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c(OCC[NH3+])c1 ZINC000426410411 571221387 /nfs/dbraw/zinc/22/13/87/571221387.db2.gz CEIJCAAFFZUNPS-UHFFFAOYSA-N 2 1 361.486 2.123 50 0 FEAAMP Cc1nc(CCNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000012714480 670003373 /nfs/dbraw/zinc/00/33/73/670003373.db2.gz JVBLGGXJPLRXHO-MRXNPFEDSA-N 2 1 364.559 2.225 50 0 FEAAMP Cc1nc(CCNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000012714480 670003375 /nfs/dbraw/zinc/00/33/75/670003375.db2.gz JVBLGGXJPLRXHO-MRXNPFEDSA-N 2 1 364.559 2.225 50 0 FEAAMP Cc1ncsc1CCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000014954525 670009594 /nfs/dbraw/zinc/00/95/94/670009594.db2.gz BPSCAUKOMJQICC-INIZCTEOSA-N 2 1 364.559 2.307 50 0 FEAAMP Cc1ncsc1CCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000014954525 670009596 /nfs/dbraw/zinc/00/95/96/670009596.db2.gz BPSCAUKOMJQICC-INIZCTEOSA-N 2 1 364.559 2.307 50 0 FEAAMP NC(=O)C1([NH+]2CCCCC2)CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000063847537 541188374 /nfs/dbraw/zinc/18/83/74/541188374.db2.gz HZIMAFWWNTYHDI-RBUKOAKNSA-N 2 1 362.562 2.057 50 0 FEAAMP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CCC[NH2+]CC2)nc1 ZINC000067712888 541504144 /nfs/dbraw/zinc/50/41/44/541504144.db2.gz KEMWWTCZFLIKEK-UHFFFAOYSA-N 2 1 370.501 2.021 50 0 FEAAMP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2OCCCC[NH+]2CCOCC2)CC1 ZINC000097744597 209195008 /nfs/dbraw/zinc/19/50/08/209195008.db2.gz SEUWPAVORKYFTE-FQEVSTJZSA-N 3 1 361.530 2.491 50 0 FEAAMP c1ccc(OCC[NH+]2CCCCC2)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097495303 209183078 /nfs/dbraw/zinc/18/30/78/209183078.db2.gz IICOJBYWPKZAIM-NRFANRHFSA-N 3 1 372.557 2.031 50 0 FEAAMP O=C(NCCF)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071748834 541769464 /nfs/dbraw/zinc/76/94/64/541769464.db2.gz UUALUXQVRWPCPW-LJQANCHMSA-N 2 1 361.505 2.491 50 0 FEAAMP O=C(NCCF)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071748834 541769467 /nfs/dbraw/zinc/76/94/67/541769467.db2.gz UUALUXQVRWPCPW-LJQANCHMSA-N 2 1 361.505 2.491 50 0 FEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1ccccn1)C2 ZINC000072129115 541785407 /nfs/dbraw/zinc/78/54/07/541785407.db2.gz HKXBQZIQNWKYMH-NRSPTQNISA-N 2 1 359.514 2.421 50 0 FEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1cccnc1)C2 ZINC000072161939 541792222 /nfs/dbraw/zinc/79/22/22/541792222.db2.gz UMYUYCISCXKIDR-NJYVYQBISA-N 2 1 359.514 2.421 50 0 FEAAMP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+]([C@@H]3CCCOC3)CC2)OC1=O ZINC000072423375 541809770 /nfs/dbraw/zinc/80/97/70/541809770.db2.gz MJPPZSOFMZXLLO-GOSISDBHSA-N 2 1 367.534 2.430 50 0 FEAAMP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2nc(C)c[nH]2)CC1 ZINC000012306055 207357859 /nfs/dbraw/zinc/35/78/59/207357859.db2.gz FLNIVYIXCGGADA-SFHVURJKSA-N 2 1 361.534 2.311 50 0 FEAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2nc(C)c[nH]2)CC1 ZINC000012306055 207357864 /nfs/dbraw/zinc/35/78/64/207357864.db2.gz FLNIVYIXCGGADA-SFHVURJKSA-N 2 1 361.534 2.311 50 0 FEAAMP Cc1ccn2cc(CNC(=O)[C@@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)nc2c1 ZINC000012444643 207378357 /nfs/dbraw/zinc/37/83/57/207378357.db2.gz BJQUXPPWUNGRRY-QGZVFWFLSA-N 2 1 369.513 2.065 50 0 FEAAMP Cc1ccn2cc(CNC(=O)[C@@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)nc2c1 ZINC000012444643 207378360 /nfs/dbraw/zinc/37/83/60/207378360.db2.gz BJQUXPPWUNGRRY-QGZVFWFLSA-N 2 1 369.513 2.065 50 0 FEAAMP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H](Cc3ccccc3)[NH+](C)C)CC2)C[C@H](C)O1 ZINC000077287990 542362287 /nfs/dbraw/zinc/36/22/87/542362287.db2.gz DWPOGNHTYATIGS-UEXGIBASSA-N 2 1 373.541 2.260 50 0 FEAAMP COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000034925615 208117028 /nfs/dbraw/zinc/11/70/28/208117028.db2.gz YQJSNAJIQYBABK-PMACEKPBSA-N 2 1 359.514 2.078 50 0 FEAAMP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](C2CCOCC2)CC1 ZINC000091452316 208976611 /nfs/dbraw/zinc/97/66/11/208976611.db2.gz VUIWBDVZSWQRMQ-UHFFFAOYSA-N 2 1 358.490 2.210 50 0 FEAAMP Cc1cc(N2CCCN(C(=O)[C@H]3Cc4ccccc4C[N@H+]3C)CC2)cc[nH+]1 ZINC000095368478 209033764 /nfs/dbraw/zinc/03/37/64/209033764.db2.gz RWKRCKSTTUIZMH-OAQYLSRUSA-N 2 1 364.493 2.485 50 0 FEAAMP Cc1cc(N2CCCN(C(=O)[C@H]3Cc4ccccc4C[N@@H+]3C)CC2)cc[nH+]1 ZINC000095368478 209033767 /nfs/dbraw/zinc/03/37/67/209033767.db2.gz RWKRCKSTTUIZMH-OAQYLSRUSA-N 2 1 364.493 2.485 50 0 FEAAMP O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CC[NH+](CCn2cccc2)CC1 ZINC000095370001 209034019 /nfs/dbraw/zinc/03/40/19/209034019.db2.gz VDCAMMQKRSBBMJ-IBGZPJMESA-N 2 1 370.497 2.138 50 0 FEAAMP O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CC[NH+](CCn2cccc2)CC1 ZINC000095370001 209034023 /nfs/dbraw/zinc/03/40/23/209034023.db2.gz VDCAMMQKRSBBMJ-IBGZPJMESA-N 2 1 370.497 2.138 50 0 FEAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](CC(N)=O)C[C@@H]2CCCO2)CC1 ZINC000095510548 209069217 /nfs/dbraw/zinc/06/92/17/209069217.db2.gz FIIMILCFBSIRRV-FQEVSTJZSA-N 2 1 359.514 2.173 50 0 FEAAMP CC[N@H+]1CCC[C@H]1CN(Cc1cc[nH]n1)CC1CC[NH+](CCOC)CC1 ZINC000020212167 521653201 /nfs/dbraw/zinc/65/32/01/521653201.db2.gz SSSDLTYLRNUSMN-FQEVSTJZSA-N 2 1 363.550 2.054 50 0 FEAAMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000299748132 525015280 /nfs/dbraw/zinc/01/52/80/525015280.db2.gz GEGXJXFHOJBJDR-VIPLHTEESA-N 2 1 359.514 2.430 50 0 FEAAMP O=C(CCC[NH+]1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091416440 526435144 /nfs/dbraw/zinc/43/51/44/526435144.db2.gz XDVKTOBHLNEFGN-LEWJYISDSA-N 2 1 371.525 2.222 50 0 FEAAMP O=C(CCC[NH+]1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000091416440 526435147 /nfs/dbraw/zinc/43/51/47/526435147.db2.gz XDVKTOBHLNEFGN-LEWJYISDSA-N 2 1 371.525 2.222 50 0 FEAAMP Cc1cc(C)c(C[N@H+](C)CCc2cnn(C)c2)cc1CN1CC[NH+](C)CC1 ZINC000215484741 548671061 /nfs/dbraw/zinc/67/10/61/548671061.db2.gz VWHRIFZQFUYLIL-UHFFFAOYSA-N 2 1 369.557 2.459 50 0 FEAAMP Cc1cc(C)c(C[NH+]2CCN(C)CC2)cc1C[N@@H+](C)CCc1cnn(C)c1 ZINC000215484741 548671064 /nfs/dbraw/zinc/67/10/64/548671064.db2.gz VWHRIFZQFUYLIL-UHFFFAOYSA-N 2 1 369.557 2.459 50 0 FEAAMP Cc1cc(C)c(C[NH+]2CCN(C)CC2)cc1C[N@H+](C)CCc1cnn(C)c1 ZINC000215484741 548671066 /nfs/dbraw/zinc/67/10/66/548671066.db2.gz VWHRIFZQFUYLIL-UHFFFAOYSA-N 2 1 369.557 2.459 50 0 FEAAMP CCn1ccc2c1cccc2C[NH+]1CCC2(CC1)C(=O)NCCCN2C ZINC000215805708 548675131 /nfs/dbraw/zinc/67/51/31/548675131.db2.gz QPGLIECROJZYST-UHFFFAOYSA-N 2 1 354.498 2.448 50 0 FEAAMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](C2CCOCC2)CC1)c1cccc(F)c1 ZINC000220465143 548700924 /nfs/dbraw/zinc/70/09/24/548700924.db2.gz CDKQYRROVYEDHK-LJQANCHMSA-N 2 1 363.477 2.188 50 0 FEAAMP Cc1c[nH+]ccc1N1CCCN(C(=O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000252481637 549667554 /nfs/dbraw/zinc/66/75/54/549667554.db2.gz CPTMLGPQMKIPHB-UHFFFAOYSA-N 2 1 364.493 2.487 50 0 FEAAMP Cc1c[nH+]ccc1N1CCCN(C(=O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000252481637 549667556 /nfs/dbraw/zinc/66/75/56/549667556.db2.gz CPTMLGPQMKIPHB-UHFFFAOYSA-N 2 1 364.493 2.487 50 0 FEAAMP Cc1nnc([C@H]2CC3(C[N@H+]2CCCO)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257177706 549712602 /nfs/dbraw/zinc/71/26/02/549712602.db2.gz XVRRFDNEBDTTSR-GOSISDBHSA-N 2 1 371.485 2.185 50 0 FEAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3nc4ccccc4o3)C2)CC1 ZINC000299786413 553614514 /nfs/dbraw/zinc/61/45/14/553614514.db2.gz XFDBMRYERZHAJE-MRXNPFEDSA-N 2 1 370.497 2.293 50 0 FEAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3nc4ccccc4o3)C2)CC1 ZINC000299786413 553614517 /nfs/dbraw/zinc/61/45/17/553614517.db2.gz XFDBMRYERZHAJE-MRXNPFEDSA-N 2 1 370.497 2.293 50 0 FEAAMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@@]1(O)CC[NH2+]C1)C1CCCCC1 ZINC000299788312 553614675 /nfs/dbraw/zinc/61/46/75/553614675.db2.gz WLGYEWCBTAPKSL-HXUWFJFHSA-N 2 1 360.502 2.297 50 0 FEAAMP Cc1nc2ccc(CC(=O)N3CCCO[C@@H](C[NH+]4CCCC4)C3)cc2[nH]1 ZINC000299793879 553614875 /nfs/dbraw/zinc/61/48/75/553614875.db2.gz INTHLKKILQJKFS-KRWDZBQOSA-N 2 1 356.470 2.127 50 0 FEAAMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000408523888 558685757 /nfs/dbraw/zinc/68/57/57/558685757.db2.gz OHCBUBGAWJSEBW-TYCQWZJGSA-N 2 1 364.493 2.123 50 0 FEAAMP O=C(c1ccccc1)N1CCC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000585091199 571320309 /nfs/dbraw/zinc/32/03/09/571320309.db2.gz FKCUQBKONJZYQQ-NRFANRHFSA-N 2 1 371.525 2.382 50 0 FEAAMP C[N@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000670444890 571350393 /nfs/dbraw/zinc/35/03/93/571350393.db2.gz ZZKYADXTHKVIOL-OAQYLSRUSA-N 2 1 372.557 2.357 50 0 FEAAMP COCC[NH2+]Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012093094 670000819 /nfs/dbraw/zinc/00/08/19/670000819.db2.gz LBDTZPLLKFKNIS-LJQANCHMSA-N 2 1 350.503 2.427 50 0 FEAAMP O[C@@]1(C[NH+]2CCC(OCc3cccnc3)CC2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063870317 541190208 /nfs/dbraw/zinc/19/02/08/541190208.db2.gz QTWMGVSTDFJDJI-NHCUHLMSSA-N 2 1 359.514 2.442 50 0 FEAAMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccccc2OCCCC[NH+]2CCOCC2)CC1 ZINC000097744603 209194409 /nfs/dbraw/zinc/19/44/09/209194409.db2.gz SEUWPAVORKYFTE-HXUWFJFHSA-N 3 1 361.530 2.491 50 0 FEAAMP COCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071552090 541768322 /nfs/dbraw/zinc/76/83/22/541768322.db2.gz QUDJDWZHJVDWLX-FQEVSTJZSA-N 2 1 373.541 2.468 50 0 FEAAMP COCCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071552090 541768325 /nfs/dbraw/zinc/76/83/25/541768325.db2.gz QUDJDWZHJVDWLX-FQEVSTJZSA-N 2 1 373.541 2.468 50 0 FEAAMP Cc1nc2cc(C)ccn2c1C(=O)N1CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC000072150388 541789845 /nfs/dbraw/zinc/78/98/45/541789845.db2.gz FCRSAAXNWBPIAD-GOSISDBHSA-N 2 1 371.529 2.439 50 0 FEAAMP Cc1nc2cc(C)ccn2c1C(=O)N1CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC000072150388 541789848 /nfs/dbraw/zinc/78/98/48/541789848.db2.gz FCRSAAXNWBPIAD-GOSISDBHSA-N 2 1 371.529 2.439 50 0 FEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3cccc4c3OC(C)(C)C4)CC[C@H]21 ZINC000072429877 541812156 /nfs/dbraw/zinc/81/21/56/541812156.db2.gz IKNJOHMCJQUVRN-PKOBYXMFSA-N 2 1 371.525 2.432 50 0 FEAAMP CN1C[C@@]2(CCC[N@@H+](Cc3ccccc3OCCC[NH+](C)C)C2)OC1=O ZINC000072479598 541821502 /nfs/dbraw/zinc/82/15/02/541821502.db2.gz ALYRXZKRTFOVED-HXUWFJFHSA-N 2 1 361.486 2.434 50 0 FEAAMP CCC[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000011768905 207321680 /nfs/dbraw/zinc/32/16/80/207321680.db2.gz FZWUSEVQZNHELB-LJQANCHMSA-N 2 1 364.578 2.173 50 0 FEAAMP CCC[NH+]1CCC(CC(=O)N[C@@H]2CCCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000011768905 207321685 /nfs/dbraw/zinc/32/16/85/207321685.db2.gz FZWUSEVQZNHELB-LJQANCHMSA-N 2 1 364.578 2.173 50 0 FEAAMP C[N@@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCCO)C1CCCCC1 ZINC000011998518 207333579 /nfs/dbraw/zinc/33/35/79/207333579.db2.gz WKRXUGIGFMVSDU-LJQANCHMSA-N 2 1 350.503 2.163 50 0 FEAAMP C[C@@H](C1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1)[NH+]1CCOCC1 ZINC000077344271 542370531 /nfs/dbraw/zinc/37/05/31/542370531.db2.gz RSTHHAGPVXGXFC-KRWDZBQOSA-N 2 1 359.518 2.010 50 0 FEAAMP COc1ccc([C@H]2CN(C(=O)C[N@@H+]3CCc4ccccc4C3)C[C@@H]2[NH3+])cc1 ZINC000092077698 209016394 /nfs/dbraw/zinc/01/63/94/209016394.db2.gz YBMGLKVOZFBCAD-RTWAWAEBSA-N 2 1 365.477 2.007 50 0 FEAAMP COc1ccc([C@H]2CN(C(=O)C[N@H+]3CCc4ccccc4C3)C[C@@H]2[NH3+])cc1 ZINC000092077698 209016397 /nfs/dbraw/zinc/01/63/97/209016397.db2.gz YBMGLKVOZFBCAD-RTWAWAEBSA-N 2 1 365.477 2.007 50 0 FEAAMP CC[N@@H+](C)CC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095381259 209041011 /nfs/dbraw/zinc/04/10/11/209041011.db2.gz WJQKTSNBEPUFJI-CEWLAPEOSA-N 2 1 357.498 2.036 50 0 FEAAMP Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@H](O)C2)nc(N2CCCC2)[nH+]1 ZINC000095520595 209072227 /nfs/dbraw/zinc/07/22/27/209072227.db2.gz ICVZTKPOTRBYSK-IBGZPJMESA-N 2 1 367.497 2.068 50 0 FEAAMP Cc1cc(N2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)nc(N)[nH+]1 ZINC000215165912 132269613 /nfs/dbraw/zinc/26/96/13/132269613.db2.gz DUOZSUNCLLGSIH-UHFFFAOYSA-N 2 1 363.469 2.090 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](Cc3cccnc3)CC2)n1C ZINC000091650463 527448698 /nfs/dbraw/zinc/44/86/98/527448698.db2.gz OMNAOWGHPICNHN-UHFFFAOYSA-N 2 1 351.458 2.143 50 0 FEAAMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)C1 ZINC000685942546 571102680 /nfs/dbraw/zinc/10/26/80/571102680.db2.gz ORYOCHRRRCDWTO-HNNXBMFYSA-N 2 1 356.474 2.113 50 0 FEAAMP CC(C)C[N@H+]1CCCn2nc(CNC(=O)[C@H]3CCCCC[NH+]3C)cc2C1 ZINC000082138327 571165358 /nfs/dbraw/zinc/16/53/58/571165358.db2.gz GHTLOGRBAWMGIP-LJQANCHMSA-N 2 1 361.534 2.235 50 0 FEAAMP CC(C)C[NH+]1CCCn2nc(CNC(=O)[C@H]3CCCCC[N@@H+]3C)cc2C1 ZINC000082138327 571165360 /nfs/dbraw/zinc/16/53/60/571165360.db2.gz GHTLOGRBAWMGIP-LJQANCHMSA-N 2 1 361.534 2.235 50 0 FEAAMP CC(C)C[NH+]1CCCn2nc(CNC(=O)[C@H]3CCCCC[N@H+]3C)cc2C1 ZINC000082138327 571165361 /nfs/dbraw/zinc/16/53/61/571165361.db2.gz GHTLOGRBAWMGIP-LJQANCHMSA-N 2 1 361.534 2.235 50 0 FEAAMP COc1cc(C[NH2+]Cc2cccnc2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000011668088 539531892 /nfs/dbraw/zinc/53/18/92/539531892.db2.gz BRZKDRFZKITVKQ-IBGZPJMESA-N 2 1 373.497 2.460 50 0 FEAAMP CCc1[nH+]ccn1CC(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072137225 541785785 /nfs/dbraw/zinc/78/57/85/541785785.db2.gz FHFMABPNBHIKQC-IBGZPJMESA-N 2 1 352.482 2.147 50 0 FEAAMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000072308466 541798158 /nfs/dbraw/zinc/79/81/58/541798158.db2.gz LKMXHFAHFIXCAW-SFHVURJKSA-N 2 1 373.463 2.482 50 0 FEAAMP COCC[N@H+](C)CC(=O)N1CCC[C@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC000072421865 541809004 /nfs/dbraw/zinc/80/90/04/541809004.db2.gz KVNUCKSXVRTKQH-QFIPXVFZSA-N 2 1 373.541 2.469 50 0 FEAAMP COCC[N@@H+](C)CC(=O)N1CCC[C@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC000072421865 541809006 /nfs/dbraw/zinc/80/90/06/541809006.db2.gz KVNUCKSXVRTKQH-QFIPXVFZSA-N 2 1 373.541 2.469 50 0 FEAAMP COCC[NH+](C)CC(=O)N1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072421865 541809008 /nfs/dbraw/zinc/80/90/08/541809008.db2.gz KVNUCKSXVRTKQH-QFIPXVFZSA-N 2 1 373.541 2.469 50 0 FEAAMP COCC[NH+](C)CC(=O)N1CCC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000072421865 541809009 /nfs/dbraw/zinc/80/90/09/541809009.db2.gz KVNUCKSXVRTKQH-QFIPXVFZSA-N 2 1 373.541 2.469 50 0 FEAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](CCCn3ccnc3)CC2)C1)N1CCCC1 ZINC000071762085 221369057 /nfs/dbraw/zinc/36/90/57/221369057.db2.gz RKISGYYUCAZHHV-LJQANCHMSA-N 2 1 373.545 2.072 50 0 FEAAMP Nc1nc(C2CC([NH3+])C2)cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000219893837 132275212 /nfs/dbraw/zinc/27/52/12/132275212.db2.gz LSBLYJDRHBEMFZ-QPJJXVBHSA-N 2 1 364.497 2.099 50 0 FEAAMP Cc1[nH+]c(N(C)C)nc(N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1C ZINC000091526842 542811379 /nfs/dbraw/zinc/81/13/79/542811379.db2.gz ISRZTQFOSZNDAH-QZTJIDSGSA-N 2 1 361.534 2.080 50 0 FEAAMP O=c1cc(C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)[nH]c2c(F)cccc12 ZINC000091829567 542827306 /nfs/dbraw/zinc/82/73/06/542827306.db2.gz ZAJPVGYTOWLHHU-UHFFFAOYSA-N 2 1 359.445 2.090 50 0 FEAAMP O=C(CC[C@H]1CCC[N@@H+](CCCO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095523736 542979849 /nfs/dbraw/zinc/97/98/49/542979849.db2.gz WXYZZJKBZBKXBA-OAQYLSRUSA-N 2 1 373.541 2.205 50 0 FEAAMP O=C(CC[C@H]1CCC[N@H+](CCCO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095523736 542979851 /nfs/dbraw/zinc/97/98/51/542979851.db2.gz WXYZZJKBZBKXBA-OAQYLSRUSA-N 2 1 373.541 2.205 50 0 FEAAMP CCc1cc(N2CCC([NH2+]C[C@@H](O)c3cccc(O)c3)CC2)nc(C)[nH+]1 ZINC000096162873 542994542 /nfs/dbraw/zinc/99/45/42/542994542.db2.gz UGAQAGVIUNGSDT-LJQANCHMSA-N 2 1 356.470 2.345 50 0 FEAAMP C[N@H+](CCO)C[C@@H]1C[NH+](Cc2ccc(-c3ccccc3)s2)C[C@@H]1CO ZINC000091547989 522882420 /nfs/dbraw/zinc/88/24/20/522882420.db2.gz LWZUQSTUGHOESZ-QZTJIDSGSA-N 2 1 360.523 2.380 50 0 FEAAMP C[N@@H+](CCO)C[C@@H]1C[NH+](Cc2ccc(-c3ccccc3)s2)C[C@@H]1CO ZINC000091547989 522882429 /nfs/dbraw/zinc/88/24/29/522882429.db2.gz LWZUQSTUGHOESZ-QZTJIDSGSA-N 2 1 360.523 2.380 50 0 FEAAMP C[NH+](CCO)C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)C[C@@H]1CO ZINC000091547989 522882436 /nfs/dbraw/zinc/88/24/36/522882436.db2.gz LWZUQSTUGHOESZ-QZTJIDSGSA-N 2 1 360.523 2.380 50 0 FEAAMP C[NH+](CCO)C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)C[C@@H]1CO ZINC000091547989 522882444 /nfs/dbraw/zinc/88/24/44/522882444.db2.gz LWZUQSTUGHOESZ-QZTJIDSGSA-N 2 1 360.523 2.380 50 0 FEAAMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000252496833 549669612 /nfs/dbraw/zinc/66/96/12/549669612.db2.gz PSRRDXUCYJKOMZ-IBGZPJMESA-N 2 1 374.529 2.172 50 0 FEAAMP Nc1nc(NCC2CC[NH+](Cc3ccccc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426693665 559740426 /nfs/dbraw/zinc/74/04/26/559740426.db2.gz FJUVCCNSFDKRRP-SFHVURJKSA-N 2 1 367.497 2.309 50 0 FEAAMP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000004261693 539380941 /nfs/dbraw/zinc/38/09/41/539380941.db2.gz KMDXQYUKMCGYRY-LJQANCHMSA-N 2 1 359.514 2.126 50 0 FEAAMP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000004261693 539380946 /nfs/dbraw/zinc/38/09/46/539380946.db2.gz KMDXQYUKMCGYRY-LJQANCHMSA-N 2 1 359.514 2.126 50 0 FEAAMP Cc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000299793501 210034044 /nfs/dbraw/zinc/03/40/44/210034044.db2.gz HRXSHMYJOICAOR-HXUWFJFHSA-N 2 1 359.514 2.186 50 0 FEAAMP Cc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000299793501 210034047 /nfs/dbraw/zinc/03/40/47/210034047.db2.gz HRXSHMYJOICAOR-HXUWFJFHSA-N 2 1 359.514 2.186 50 0 FEAAMP Cc1ccccc1OC1CCN(C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)CC1 ZINC000072421527 541809450 /nfs/dbraw/zinc/80/94/50/541809450.db2.gz ZCYNJAHGZLDKIZ-LJQANCHMSA-N 2 1 371.525 2.439 50 0 FEAAMP CC(C)C[N@@H+](C)CCN1CC2(CC[NH+]([C@@H]3CCSC3)CC2)OC1=O ZINC000072480178 541821446 /nfs/dbraw/zinc/82/14/46/541821446.db2.gz LAXWRDDXIUTTFN-MRXNPFEDSA-N 2 1 355.548 2.367 50 0 FEAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000077353434 542371395 /nfs/dbraw/zinc/37/13/95/542371395.db2.gz HBBVGHTXMOIZBZ-UHFFFAOYSA-N 2 1 352.486 2.493 50 0 FEAAMP Cc1ccc(OC2(C(=O)NCCNc3[nH+]cccc3C)CC[NH2+]CC2)cc1 ZINC000077377519 542374585 /nfs/dbraw/zinc/37/45/85/542374585.db2.gz PMVJSNMFRCERFZ-UHFFFAOYSA-N 2 1 368.481 2.428 50 0 FEAAMP C[N@@H+]1Cc2ccccc2C[C@@H]1Cn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065376505 221206689 /nfs/dbraw/zinc/20/66/89/221206689.db2.gz YKJVZWLKFXHRIC-OAHLLOKOSA-N 2 1 366.490 2.160 50 0 FEAAMP C[N@H+]1Cc2ccccc2C[C@@H]1Cn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065376505 221206692 /nfs/dbraw/zinc/20/66/92/221206692.db2.gz YKJVZWLKFXHRIC-OAHLLOKOSA-N 2 1 366.490 2.160 50 0 FEAAMP CO[C@H]1CCC[N@H+](C2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)C1 ZINC000095392395 132210749 /nfs/dbraw/zinc/21/07/49/132210749.db2.gz IDRLPSYPLHUQJJ-SFHVURJKSA-N 2 1 359.518 2.465 50 0 FEAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@@H]2CO)CC1 ZINC000092038389 542840584 /nfs/dbraw/zinc/84/05/84/542840584.db2.gz DREGSCONBYIGCK-RTBURBONSA-N 2 1 357.498 2.111 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@@H]2CO)CC1 ZINC000092038389 542840587 /nfs/dbraw/zinc/84/05/87/542840587.db2.gz DREGSCONBYIGCK-RTBURBONSA-N 2 1 357.498 2.111 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@@H]2CO)CC1 ZINC000092038389 542840591 /nfs/dbraw/zinc/84/05/91/542840591.db2.gz DREGSCONBYIGCK-RTBURBONSA-N 2 1 357.498 2.111 50 0 FEAAMP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129427293 544111640 /nfs/dbraw/zinc/11/16/40/544111640.db2.gz LLBMWKQZZQMYSU-VKJFTORMSA-N 2 1 367.453 2.140 50 0 FEAAMP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129427293 544111642 /nfs/dbraw/zinc/11/16/42/544111642.db2.gz LLBMWKQZZQMYSU-VKJFTORMSA-N 2 1 367.453 2.140 50 0 FEAAMP C[NH+](C)CCNC(=O)c1cccc(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000034684725 535888905 /nfs/dbraw/zinc/88/89/05/535888905.db2.gz ATKCCPJHHJSWBW-UHFFFAOYSA-N 2 1 366.509 2.300 50 0 FEAAMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)cs1 ZINC000237613511 548838693 /nfs/dbraw/zinc/83/86/93/548838693.db2.gz KMNUBIXIZGGNLP-GUYCJALGSA-N 2 1 350.532 2.249 50 0 FEAAMP COCC[N@H+]1CCC[C@@H](CNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000670464134 571357784 /nfs/dbraw/zinc/35/77/84/571357784.db2.gz OKTKFVSLNUSCRZ-SFHVURJKSA-N 2 1 351.535 2.260 50 0 FEAAMP CC(C)C[N@@H+]1CCCN(c2nc(-c3ccncc3)nc3c2C[NH2+]C3)CC1 ZINC000072161743 541792558 /nfs/dbraw/zinc/79/25/58/541792558.db2.gz AOQHSUQOSGVTEO-UHFFFAOYSA-N 2 1 352.486 2.310 50 0 FEAAMP CC(C)C[N@H+]1CCCN(c2nc(-c3ccncc3)nc3c2C[NH2+]C3)CC1 ZINC000072161743 541792562 /nfs/dbraw/zinc/79/25/62/541792562.db2.gz AOQHSUQOSGVTEO-UHFFFAOYSA-N 2 1 352.486 2.310 50 0 FEAAMP C[N@@H+]1Cc2ccccc2C[C@H]1Cn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065376507 221205937 /nfs/dbraw/zinc/20/59/37/221205937.db2.gz YKJVZWLKFXHRIC-HNNXBMFYSA-N 2 1 366.490 2.160 50 0 FEAAMP C[N@H+]1Cc2ccccc2C[C@H]1Cn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065376507 221205940 /nfs/dbraw/zinc/20/59/40/221205940.db2.gz YKJVZWLKFXHRIC-HNNXBMFYSA-N 2 1 366.490 2.160 50 0 FEAAMP [NH3+]CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)cc1 ZINC000091624694 542816698 /nfs/dbraw/zinc/81/66/98/542816698.db2.gz VOTHXHOHMJMMNK-TZIWHRDSSA-N 2 1 364.493 2.319 50 0 FEAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc(Cl)cc3)C[C@@H]2CO)CC1 ZINC000091713728 542821669 /nfs/dbraw/zinc/82/16/69/542821669.db2.gz KELPDLQQYPRHLN-QZTJIDSGSA-N 2 1 351.922 2.018 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2CO)CC1 ZINC000091713728 542821673 /nfs/dbraw/zinc/82/16/73/542821673.db2.gz KELPDLQQYPRHLN-QZTJIDSGSA-N 2 1 351.922 2.018 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2CO)CC1 ZINC000091713728 542821676 /nfs/dbraw/zinc/82/16/76/542821676.db2.gz KELPDLQQYPRHLN-QZTJIDSGSA-N 2 1 351.922 2.018 50 0 FEAAMP CC(C)C[N@H+]1CCn2nc(CNC(=O)C3([NH+]4CCCC4)CCCC3)cc2C1 ZINC000082121011 519732248 /nfs/dbraw/zinc/73/22/48/519732248.db2.gz XLBHGXNFCHHUPK-UHFFFAOYSA-N 2 1 373.545 2.380 50 0 FEAAMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cccc(-c4ccco4)c3)C[C@@H]2CO)CC1 ZINC000091625771 523906751 /nfs/dbraw/zinc/90/67/51/523906751.db2.gz STFQSQVAWSZTBU-NHCUHLMSSA-N 2 1 369.509 2.234 50 0 FEAAMP Nc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC[N@@H+](Cc3cccs3)CC2)n1 ZINC000244659522 548891885 /nfs/dbraw/zinc/89/18/85/548891885.db2.gz HEEIDDHNYPYUEI-OKILXGFUSA-N 2 1 358.515 2.037 50 0 FEAAMP Cc1c[nH+]ccc1NCCNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000244723890 548894123 /nfs/dbraw/zinc/89/41/23/548894123.db2.gz MJKYCLPQHBDASS-IBGZPJMESA-N 2 1 368.481 2.209 50 0 FEAAMP Cc1c[nH+]ccc1NCCNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000244723890 548894128 /nfs/dbraw/zinc/89/41/28/548894128.db2.gz MJKYCLPQHBDASS-IBGZPJMESA-N 2 1 368.481 2.209 50 0 FEAAMP COc1ccc(C(=O)N2CCC[C@@H](Cn3cc[nH+]c3C)C2)cc1OCC[NH3+] ZINC000426536511 559737262 /nfs/dbraw/zinc/73/72/62/559737262.db2.gz QFYILQBTVLEEDG-INIZCTEOSA-N 2 1 372.469 2.090 50 0 FEAAMP Cn1c(C[C@H]2CCCC[C@H]2[NH2+]Cc2cccc3c2CC[NH2+]C3)n[nH]c1=O ZINC000685940404 571099756 /nfs/dbraw/zinc/09/97/56/571099756.db2.gz JJEKGMJBOFZZNB-RDTXWAMCSA-N 2 1 355.486 2.058 50 0 FEAAMP Cc1[nH+]ccn1CCN(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426387117 571218198 /nfs/dbraw/zinc/21/81/98/571218198.db2.gz POXUONJJUFMNHT-LJQANCHMSA-N 2 1 355.486 2.355 50 0 FEAAMP Cc1[nH+]ccn1CCN(C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426387117 571218201 /nfs/dbraw/zinc/21/82/01/571218201.db2.gz POXUONJJUFMNHT-LJQANCHMSA-N 2 1 355.486 2.355 50 0 FEAAMP CCN1CCO[C@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000174448222 672361234 /nfs/dbraw/zinc/36/12/34/672361234.db2.gz RYNZMHJWKJQBFK-SFHVURJKSA-N 2 1 365.905 2.141 50 0 FEAAMP CN1CCCN(C[C@H]2CCC[N@H+]2Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000299800430 210039108 /nfs/dbraw/zinc/03/91/08/210039108.db2.gz SKONMKDHQHHABM-OAQYLSRUSA-N 2 1 356.558 2.411 50 0 FEAAMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)COc2cccc(Cl)c2)CC1 ZINC000072137204 541785893 /nfs/dbraw/zinc/78/58/93/541785893.db2.gz PMHJFSDRPZPCGF-MSOLQXFVSA-N 2 1 365.905 2.440 50 0 FEAAMP O[C@@]1(CN2CC[NH+](CCc3ccccc3)CC2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063844377 212033978 /nfs/dbraw/zinc/03/39/78/212033978.db2.gz WKSNGQHDPWVIMO-FGZHOGPDSA-N 2 1 357.542 2.226 50 0 FEAAMP [NH3+]CCCN1C(=O)CC[C@H]2C[N@H+](Cc3ccc4ccccc4n3)CC[C@H]21 ZINC000072463745 541818037 /nfs/dbraw/zinc/81/80/37/541818037.db2.gz GCAWEILSWLCBSN-FXAWDEMLSA-N 2 1 352.482 2.397 50 0 FEAAMP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+]([C@H]3CCOC3)CC2)OC1=O ZINC000072479937 541821825 /nfs/dbraw/zinc/82/18/25/541821825.db2.gz SYQNKRCRONAZMR-KRWDZBQOSA-N 2 1 353.507 2.040 50 0 FEAAMP Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000071753021 221364229 /nfs/dbraw/zinc/36/42/29/221364229.db2.gz YUWZCCMOFBYQDM-QGZVFWFLSA-N 2 1 361.534 2.261 50 0 FEAAMP COc1ccccc1C[NH+]1CCN(c2cc([C@H]3C[C@H]([NH3+])C3)ncn2)CC1 ZINC000252537372 132293341 /nfs/dbraw/zinc/29/33/41/132293341.db2.gz KZRHWZPLXCOXHV-QAQDUYKDSA-N 2 1 353.470 2.012 50 0 FEAAMP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc(Cl)c(F)c3)C[C@@H]2CO)CC1 ZINC000091664488 542818883 /nfs/dbraw/zinc/81/88/83/542818883.db2.gz GQWCGYCAWWQVPF-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc(Cl)c(F)c3)C[C@@H]2CO)CC1 ZINC000091664488 542818884 /nfs/dbraw/zinc/81/88/84/542818884.db2.gz GQWCGYCAWWQVPF-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]2CO)CC1 ZINC000091664488 542818886 /nfs/dbraw/zinc/81/88/86/542818886.db2.gz GQWCGYCAWWQVPF-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]2CO)CC1 ZINC000091664488 542818887 /nfs/dbraw/zinc/81/88/87/542818887.db2.gz GQWCGYCAWWQVPF-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 ZINC000092046428 542841262 /nfs/dbraw/zinc/84/12/62/542841262.db2.gz BKKNVSZVUJPWEK-IBGZPJMESA-N 2 1 374.529 2.465 50 0 FEAAMP Cc1cccc(N2CCN(C(=O)[C@@H]3CC4(C[N@@H+]3C)CC[NH2+]CC4)CC2)c1C ZINC000072410929 136145438 /nfs/dbraw/zinc/14/54/38/136145438.db2.gz YFIYFQPPGCBDSC-FQEVSTJZSA-N 2 1 370.541 2.026 50 0 FEAAMP C[N@@H+](CCCO)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095500433 542973942 /nfs/dbraw/zinc/97/39/42/542973942.db2.gz MWXTXQIEGGFQAU-LJQANCHMSA-N 2 1 350.503 2.117 50 0 FEAAMP c1ccc(OCC[NH+]2CCCCC2)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097495298 222185717 /nfs/dbraw/zinc/18/57/17/222185717.db2.gz IICOJBYWPKZAIM-OAQYLSRUSA-N 3 1 372.557 2.031 50 0 FEAAMP CN1CCC([N@@H+]2CCN(Cc3ccc(F)cc3Cl)C[C@H]2CCO)CC1 ZINC000104402842 222358412 /nfs/dbraw/zinc/35/84/12/222358412.db2.gz WZZUYULGOGSGTR-GOSISDBHSA-N 2 1 369.912 2.442 50 0 FEAAMP CCC[N@H+]1CCCn2nc(CNC(=O)[C@H]([NH2+]C)c3ccccc3)cc2C1 ZINC000082147941 519855542 /nfs/dbraw/zinc/85/55/42/519855542.db2.gz OTLZOPNCSBXLCA-LJQANCHMSA-N 2 1 355.486 2.076 50 0 FEAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000172791983 546267907 /nfs/dbraw/zinc/26/79/07/546267907.db2.gz ATWOVXPUPSYYAA-WMZOPIPTSA-N 2 1 369.550 2.268 50 0 FEAAMP C[NH+]1CCN(CCCOc2ccccc2C[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000215258880 548669244 /nfs/dbraw/zinc/66/92/44/548669244.db2.gz BWIHFGUGZZNUND-HXUWFJFHSA-N 2 1 361.530 2.050 50 0 FEAAMP CN1CC[NH+](CCCOc2ccccc2C[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000215258880 548669251 /nfs/dbraw/zinc/66/92/51/548669251.db2.gz BWIHFGUGZZNUND-HXUWFJFHSA-N 2 1 361.530 2.050 50 0 FEAAMP CN1CC[NH+](CCCOc2ccccc2C[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000215258880 548669254 /nfs/dbraw/zinc/66/92/54/548669254.db2.gz BWIHFGUGZZNUND-HXUWFJFHSA-N 2 1 361.530 2.050 50 0 FEAAMP C[NH+](C)CCCOc1cccc(C[N@@H+]2CCCn3nc(CO)cc3C2)c1 ZINC000222407960 548708163 /nfs/dbraw/zinc/70/81/63/548708163.db2.gz DRFMCEJYDNQJEX-UHFFFAOYSA-N 2 1 358.486 2.112 50 0 FEAAMP C[NH+](C)CCCOc1cccc(C[N@H+]2CCCn3nc(CO)cc3C2)c1 ZINC000222407960 548708167 /nfs/dbraw/zinc/70/81/67/548708167.db2.gz DRFMCEJYDNQJEX-UHFFFAOYSA-N 2 1 358.486 2.112 50 0 FEAAMP [NH3+]Cc1cn(C2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)nn1 ZINC000023251657 670047124 /nfs/dbraw/zinc/04/71/24/670047124.db2.gz IFJRNNJVKVJRKG-UHFFFAOYSA-N 2 1 355.364 2.473 50 0 FEAAMP COCC[N@@H+]1C[C@@H](CO)C2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000169789539 672322724 /nfs/dbraw/zinc/32/27/24/672322724.db2.gz UBTFXEHOEKMLHP-INIZCTEOSA-N 2 1 354.441 2.118 50 0 FEAAMP COCC[N@H+]1C[C@@H](CO)C2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000169789539 672322726 /nfs/dbraw/zinc/32/27/26/672322726.db2.gz UBTFXEHOEKMLHP-INIZCTEOSA-N 2 1 354.441 2.118 50 0 FEAAMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000072312741 541799091 /nfs/dbraw/zinc/79/90/91/541799091.db2.gz CFVLQHHLWALZAP-FGTMMUONSA-N 2 1 351.535 2.257 50 0 FEAAMP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000072312741 541799094 /nfs/dbraw/zinc/79/90/94/541799094.db2.gz CFVLQHHLWALZAP-FGTMMUONSA-N 2 1 351.535 2.257 50 0 FEAAMP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000072312741 541799096 /nfs/dbraw/zinc/79/90/96/541799096.db2.gz CFVLQHHLWALZAP-FGTMMUONSA-N 2 1 351.535 2.257 50 0 FEAAMP CCN(CCNC(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2)c1cccc(C)c1 ZINC000072410975 541807673 /nfs/dbraw/zinc/80/76/73/541807673.db2.gz UUEGJTRJWGDFMV-LJQANCHMSA-N 2 1 358.530 2.011 50 0 FEAAMP CCc1cccc(OCCN(C)C(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c1 ZINC000072418819 541808162 /nfs/dbraw/zinc/80/81/62/541808162.db2.gz OMWPCPHBQBZABG-LJQANCHMSA-N 2 1 359.514 2.160 50 0 FEAAMP C[C@@H](C[N@H+]1CCc2ccccc2C1)n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072457532 541817079 /nfs/dbraw/zinc/81/70/79/541817079.db2.gz DLTYECSXVSQWKI-INIZCTEOSA-N 2 1 362.481 2.469 50 0 FEAAMP CCN1CCC[C@H]1C[N@@H+](CC1CC[NH+](CCOC)CC1)CC(C)(C)CO ZINC000020779818 211296195 /nfs/dbraw/zinc/29/61/95/211296195.db2.gz COYQAICJGATTEW-FQEVSTJZSA-N 2 1 369.594 2.150 50 0 FEAAMP COCCNC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000071764398 221371782 /nfs/dbraw/zinc/37/17/82/221371782.db2.gz ZDUZSEXJAOEZRJ-UHFFFAOYSA-N 2 1 373.541 2.434 50 0 FEAAMP C[N@@H+](CCO)C[C@@H]1C[NH+](Cc2ccccc2-c2ccccc2)C[C@@H]1CO ZINC000091808417 542826598 /nfs/dbraw/zinc/82/65/98/542826598.db2.gz VDSYORDZBYVPSI-NHCUHLMSSA-N 2 1 354.494 2.318 50 0 FEAAMP C[NH+](CCO)C[C@@H]1C[N@H+](Cc2ccccc2-c2ccccc2)C[C@@H]1CO ZINC000091808417 542826601 /nfs/dbraw/zinc/82/66/01/542826601.db2.gz VDSYORDZBYVPSI-NHCUHLMSSA-N 2 1 354.494 2.318 50 0 FEAAMP C[NH+](CCO)C[C@@H]1C[N@@H+](Cc2ccccc2-c2ccccc2)C[C@@H]1CO ZINC000091808417 542826604 /nfs/dbraw/zinc/82/66/04/542826604.db2.gz VDSYORDZBYVPSI-NHCUHLMSSA-N 2 1 354.494 2.318 50 0 FEAAMP CN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000108395601 543288877 /nfs/dbraw/zinc/28/88/77/543288877.db2.gz BWCRJRATABFZQV-VQTJNVASSA-N 2 1 360.546 2.212 50 0 FEAAMP Cc1c[nH]c(C[NH+]2CCC3(CC2)CC[N@H+](Cc2cc(C)no2)C[C@H]3CO)n1 ZINC000097301230 222173756 /nfs/dbraw/zinc/17/37/56/222173756.db2.gz XZZVWEVXBVMHCF-KRWDZBQOSA-N 2 1 373.501 2.111 50 0 FEAAMP Cc1c[nH]c(C[NH+]2CCC3(CC2)CC[N@@H+](Cc2cc(C)no2)C[C@H]3CO)n1 ZINC000097301230 222173760 /nfs/dbraw/zinc/17/37/60/222173760.db2.gz XZZVWEVXBVMHCF-KRWDZBQOSA-N 2 1 373.501 2.111 50 0 FEAAMP O=C(C1CC[NH+](C2CCOCC2)CC1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000097772874 222211422 /nfs/dbraw/zinc/21/14/22/222211422.db2.gz NRAZGOUCLRFKFW-FQEVSTJZSA-N 2 1 357.498 2.051 50 0 FEAAMP CC[NH+]1CCN(CCOc2ccc(C[N@H+]3CCC[C@@](C)(O)C3)cc2)CC1 ZINC000216394333 521683450 /nfs/dbraw/zinc/68/34/50/521683450.db2.gz VXDKDHXKMJSCCR-OAQYLSRUSA-N 2 1 361.530 2.050 50 0 FEAAMP C[NH+]1CCN(CCCOc2ccccc2C[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000215258832 548670032 /nfs/dbraw/zinc/67/00/32/548670032.db2.gz BWIHFGUGZZNUND-FQEVSTJZSA-N 2 1 361.530 2.050 50 0 FEAAMP CN1CC[NH+](CCCOc2ccccc2C[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000215258832 548670035 /nfs/dbraw/zinc/67/00/35/548670035.db2.gz BWIHFGUGZZNUND-FQEVSTJZSA-N 2 1 361.530 2.050 50 0 FEAAMP CN1CC[NH+](CCCOc2ccccc2C[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000215258832 548670038 /nfs/dbraw/zinc/67/00/38/548670038.db2.gz BWIHFGUGZZNUND-FQEVSTJZSA-N 2 1 361.530 2.050 50 0 FEAAMP Cc1c[nH+]ccc1N1CCN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000426518831 559736729 /nfs/dbraw/zinc/73/67/29/559736729.db2.gz ROLIXVSXOFLKDU-SFHVURJKSA-N 2 1 359.518 2.200 50 0 FEAAMP Cc1ncsc1CCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000014954521 670009838 /nfs/dbraw/zinc/00/98/38/670009838.db2.gz BPSCAUKOMJQICC-MRXNPFEDSA-N 2 1 364.559 2.307 50 0 FEAAMP Cc1ncsc1CCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000014954521 670009840 /nfs/dbraw/zinc/00/98/40/670009840.db2.gz BPSCAUKOMJQICC-MRXNPFEDSA-N 2 1 364.559 2.307 50 0 FEAAMP COc1cc(C[NH+]2CCSCC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012580716 539566505 /nfs/dbraw/zinc/56/65/05/539566505.db2.gz OXJNNKVSKKVVDN-QGZVFWFLSA-N 2 1 368.543 2.324 50 0 FEAAMP COc1cc(C[NH+]2CCSCC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012580716 539566512 /nfs/dbraw/zinc/56/65/12/539566512.db2.gz OXJNNKVSKKVVDN-QGZVFWFLSA-N 2 1 368.543 2.324 50 0 FEAAMP CCc1[nH+]ccn1CCC(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000299762465 210013435 /nfs/dbraw/zinc/01/34/35/210013435.db2.gz XEODPBNFFUUJGT-UHFFFAOYSA-N 2 1 352.482 2.147 50 0 FEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3ccc4ccccc4n3)CC[C@H]21 ZINC000072439541 541815195 /nfs/dbraw/zinc/81/51/95/541815195.db2.gz MXJSZRHDOGQDCI-FXAWDEMLSA-N 2 1 352.482 2.267 50 0 FEAAMP [NH3+][C@@H](C(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)c1ccccc1 ZINC000077564160 542398107 /nfs/dbraw/zinc/39/81/07/542398107.db2.gz CIBZSTFDKGUDDM-HXUWFJFHSA-N 2 1 367.497 2.348 50 0 FEAAMP CC(C)[NH+]1CCC(CC(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000065490109 221225912 /nfs/dbraw/zinc/22/59/12/221225912.db2.gz MTWJKAZYQQAEJD-UHFFFAOYSA-N 2 1 358.530 2.279 50 0 FEAAMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000067871380 221298654 /nfs/dbraw/zinc/29/86/54/221298654.db2.gz HNPXACZBELUAKA-ZAAXVRCTSA-N 2 1 354.498 2.418 50 0 FEAAMP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC000071767944 221373059 /nfs/dbraw/zinc/37/30/59/221373059.db2.gz HYKLNOOWWAOSEM-FQEVSTJZSA-N 2 1 373.541 2.434 50 0 FEAAMP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC000071767944 221373060 /nfs/dbraw/zinc/37/30/60/221373060.db2.gz HYKLNOOWWAOSEM-FQEVSTJZSA-N 2 1 373.541 2.434 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)n1C ZINC000095384232 542966465 /nfs/dbraw/zinc/96/64/65/542966465.db2.gz YOJWFUHNBWWJHD-KRWDZBQOSA-N 2 1 366.469 2.454 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)n1C ZINC000095384232 542966467 /nfs/dbraw/zinc/96/64/67/542966467.db2.gz YOJWFUHNBWWJHD-KRWDZBQOSA-N 2 1 366.469 2.454 50 0 FEAAMP C[N@@H+](CCO)Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095497088 542973344 /nfs/dbraw/zinc/97/33/44/542973344.db2.gz OGFKFUIEQNALNV-SFHVURJKSA-N 2 1 370.921 2.380 50 0 FEAAMP CC[NH+](C)C[C@H]1CCN(c2nccnc2N2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000095997134 542986130 /nfs/dbraw/zinc/98/61/30/542986130.db2.gz MTFBSGFRQJBXLS-QZTJIDSGSA-N 2 1 360.550 2.033 50 0 FEAAMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000097358398 222176861 /nfs/dbraw/zinc/17/68/61/222176861.db2.gz BLBUSCOFWFCHSY-IBGZPJMESA-N 2 1 368.566 2.297 50 0 FEAAMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000097358398 222176865 /nfs/dbraw/zinc/17/68/65/222176865.db2.gz BLBUSCOFWFCHSY-IBGZPJMESA-N 2 1 368.566 2.297 50 0 FEAAMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000097358398 222176866 /nfs/dbraw/zinc/17/68/66/222176866.db2.gz BLBUSCOFWFCHSY-IBGZPJMESA-N 2 1 368.566 2.297 50 0 FEAAMP Cc1ncc(C[NH+]2CCC3(CC2)CC[N@@H+](Cc2ccoc2)C[C@@H]3CO)n1C ZINC000097797398 222212955 /nfs/dbraw/zinc/21/29/55/222212955.db2.gz ZNRROXCQAUGIMK-LJQANCHMSA-N 2 1 372.513 2.418 50 0 FEAAMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC23CC[NH2+]CC3)C[C@@H](C)O1 ZINC000237572107 525014935 /nfs/dbraw/zinc/01/49/35/525014935.db2.gz IOHIAPROXXXMJA-MBOZVWFJSA-N 2 1 371.525 2.302 50 0 FEAAMP CC(C)[N@H+]1CC[C@@H](CN(C)Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215818248 548674802 /nfs/dbraw/zinc/67/48/02/548674802.db2.gz ILDUDZWIBHMTAA-HNNXBMFYSA-N 2 1 353.894 2.366 50 0 FEAAMP CC(C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215818248 548674809 /nfs/dbraw/zinc/67/48/09/548674809.db2.gz ILDUDZWIBHMTAA-HNNXBMFYSA-N 2 1 353.894 2.366 50 0 FEAAMP CC(C)[N@H+]1CC[C@@H](C[NH+](C)Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215818248 548674814 /nfs/dbraw/zinc/67/48/14/548674814.db2.gz ILDUDZWIBHMTAA-HNNXBMFYSA-N 2 1 353.894 2.366 50 0 FEAAMP CC(C)[NH+]1CC[C@@H](C[N@H+](C)Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215818248 548674819 /nfs/dbraw/zinc/67/48/19/548674819.db2.gz ILDUDZWIBHMTAA-HNNXBMFYSA-N 2 1 353.894 2.366 50 0 FEAAMP CC(C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215818248 548674823 /nfs/dbraw/zinc/67/48/23/548674823.db2.gz ILDUDZWIBHMTAA-HNNXBMFYSA-N 2 1 353.894 2.366 50 0 FEAAMP CCn1c(C[NH+]2CCC(C(=O)N3CC[NH2+][C@@H](C)C3)CC2)nc2ccccc21 ZINC000253602780 549698500 /nfs/dbraw/zinc/69/85/00/549698500.db2.gz FLJRIOZYAMRJFL-INIZCTEOSA-N 2 1 369.513 2.089 50 0 FEAAMP CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000670441597 571348992 /nfs/dbraw/zinc/34/89/92/571348992.db2.gz IVTSSZPSDCYQHC-HXUWFJFHSA-N 2 1 358.530 2.429 50 0 FEAAMP CC(C)[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000670441597 571348993 /nfs/dbraw/zinc/34/89/93/571348993.db2.gz IVTSSZPSDCYQHC-HXUWFJFHSA-N 2 1 358.530 2.429 50 0 FEAAMP CCCC[NH+]1CCn2nc(CNC(=O)C[N@H+]3CCCC[C@H]3CC)cc2C1 ZINC000299760983 210010540 /nfs/dbraw/zinc/01/05/40/210010540.db2.gz QJJNLYHNRIDFTG-GOSISDBHSA-N 2 1 361.534 2.380 50 0 FEAAMP CCCC[N@H+]1CCn2nc(CNC(=O)C[NH+]3CCCC[C@H]3CC)cc2C1 ZINC000299760983 210010533 /nfs/dbraw/zinc/01/05/33/210010533.db2.gz QJJNLYHNRIDFTG-GOSISDBHSA-N 2 1 361.534 2.380 50 0 FEAAMP CCCC[NH+]1CCn2nc(CNC(=O)C[N@@H+]3CCCC[C@H]3CC)cc2C1 ZINC000299760983 210010535 /nfs/dbraw/zinc/01/05/35/210010535.db2.gz QJJNLYHNRIDFTG-GOSISDBHSA-N 2 1 361.534 2.380 50 0 FEAAMP C[N@@H+](CCc1ccccc1)C1(C(=O)NCCC[NH3+])Cc2ccccc2C1 ZINC000072154405 541791067 /nfs/dbraw/zinc/79/10/67/541791067.db2.gz ZNRHECAYCKYJBI-UHFFFAOYSA-N 2 1 351.494 2.164 50 0 FEAAMP C[N@@H+](CCc1ccccc1)C1(C(=O)N[C@@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000072161529 541792083 /nfs/dbraw/zinc/79/20/83/541792083.db2.gz CWGAPYNSADUTOL-OAQYLSRUSA-N 2 1 363.505 2.177 50 0 FEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCc1ccc(O)cc1)CC[NH+](C)CC2 ZINC000072407142 541805704 /nfs/dbraw/zinc/80/57/04/541805704.db2.gz FRMDHYGMVHBDTG-LJQANCHMSA-N 2 1 359.514 2.247 50 0 FEAAMP C[C@H](C[N@H+]1CCc2ccccc2C1)n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072457535 541817143 /nfs/dbraw/zinc/81/71/43/541817143.db2.gz DLTYECSXVSQWKI-MRXNPFEDSA-N 2 1 362.481 2.469 50 0 FEAAMP C[NH+](C)CCC[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013732617 211053679 /nfs/dbraw/zinc/05/36/79/211053679.db2.gz UKDCPOGUCAJWQO-UHFFFAOYSA-N 2 1 352.442 2.496 50 0 FEAAMP Cc1ccc2cc(C[N@@H+]3CC[C@](O)(C[NH+]4CCCCC4)C3)c(=O)[nH]c2c1 ZINC000077541588 542395079 /nfs/dbraw/zinc/39/50/79/542395079.db2.gz QHKVQCNIMSQQKL-NRFANRHFSA-N 2 1 355.482 2.259 50 0 FEAAMP Cc1ccc2cc(C[N@H+]3CC[C@](O)(C[NH+]4CCCCC4)C3)c(=O)[nH]c2c1 ZINC000077541588 542395082 /nfs/dbraw/zinc/39/50/82/542395082.db2.gz QHKVQCNIMSQQKL-NRFANRHFSA-N 2 1 355.482 2.259 50 0 FEAAMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cc2n(n1)CCC[NH+](CC(C)C)C2 ZINC000082157670 542686015 /nfs/dbraw/zinc/68/60/15/542686015.db2.gz DXWFHIACRZVYHN-LJQANCHMSA-N 2 1 361.534 2.235 50 0 FEAAMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1cc2n(n1)CCC[N@H+](CC(C)C)C2 ZINC000082157670 542686020 /nfs/dbraw/zinc/68/60/20/542686020.db2.gz DXWFHIACRZVYHN-LJQANCHMSA-N 2 1 361.534 2.235 50 0 FEAAMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1cc2n(n1)CCC[N@@H+](CC(C)C)C2 ZINC000082157670 542686025 /nfs/dbraw/zinc/68/60/25/542686025.db2.gz DXWFHIACRZVYHN-LJQANCHMSA-N 2 1 361.534 2.235 50 0 FEAAMP Cc1cc(N2CCC([N@@H+](C)Cc3ccc4nsnc4c3)CC2)nc(N)[nH+]1 ZINC000095370165 132208676 /nfs/dbraw/zinc/20/86/76/132208676.db2.gz GSNWLYOPKWTLMN-UHFFFAOYSA-N 2 1 369.498 2.473 50 0 FEAAMP Cc1cc(N2CCN(C[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000299794473 132300322 /nfs/dbraw/zinc/30/03/22/132300322.db2.gz KSIQPXZLMFGRKA-LJQANCHMSA-N 2 1 366.513 2.154 50 0 FEAAMP COc1ccc([C@@H]2CN(c3cc[nH+]c(N)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095368070 542961474 /nfs/dbraw/zinc/96/14/74/542961474.db2.gz MAQQUSUKJFONPD-QXAKKESOSA-N 2 1 351.454 2.134 50 0 FEAAMP COCC[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095500294 542974536 /nfs/dbraw/zinc/97/45/36/542974536.db2.gz AORJXSZNEWEWES-IBGZPJMESA-N 2 1 350.503 2.381 50 0 FEAAMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000261917811 328829202 /nfs/dbraw/zinc/82/92/02/328829202.db2.gz IHGJQBVEAYPDFS-FQEVSTJZSA-N 2 1 365.477 2.170 50 0 FEAAMP COc1cc(OC)c(OC)cc1C[NH+]1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000215004697 548668033 /nfs/dbraw/zinc/66/80/33/548668033.db2.gz MPZMCWFAFVIYOJ-UHFFFAOYSA-N 2 1 364.486 2.135 50 0 FEAAMP CN(CC[C@H]1CCCC[N@H+]1C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000230247859 548759961 /nfs/dbraw/zinc/75/99/61/548759961.db2.gz BWCRJRATABFZQV-WOJBJXKFSA-N 2 1 360.546 2.212 50 0 FEAAMP CC1CC[NH+](CCNC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000501550651 561600271 /nfs/dbraw/zinc/60/02/71/561600271.db2.gz LOMAXSKUPPGPFE-UHFFFAOYSA-N 2 1 358.530 2.288 50 0 FEAAMP COCC[NH+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)CC1 ZINC000426420415 571222807 /nfs/dbraw/zinc/22/28/07/571222807.db2.gz BYBBYYBYTVFUAG-HXUWFJFHSA-N 2 1 374.529 2.187 50 0 FEAAMP Cc1nn(C)c(C)c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420561 210139497 /nfs/dbraw/zinc/13/94/97/210139497.db2.gz SMVINDHISVUMBE-IBGZPJMESA-N 2 1 369.513 2.024 50 0 FEAAMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)s1 ZINC000058174050 540831413 /nfs/dbraw/zinc/83/14/13/540831413.db2.gz OIPZVWXPABCLMD-OAHLLOKOSA-N 2 1 359.561 2.093 50 0 FEAAMP O=C1CCCN1c1ccc(C[NH2+]C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)cc1 ZINC000063868810 212035299 /nfs/dbraw/zinc/03/52/99/212035299.db2.gz XGJRZWXWEAGHHM-TZIWHRDSSA-N 2 1 357.498 2.282 50 0 FEAAMP O=C1CCCN1c1ccc(C[NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)cc1 ZINC000063868810 212035303 /nfs/dbraw/zinc/03/53/03/212035303.db2.gz XGJRZWXWEAGHHM-TZIWHRDSSA-N 2 1 357.498 2.282 50 0 FEAAMP CCn1c(=O)n(CC[NH+](C)C)nc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067895437 221303053 /nfs/dbraw/zinc/30/30/53/221303053.db2.gz XMCDXZFTCKUTSF-SFHVURJKSA-N 2 1 357.502 2.006 50 0 FEAAMP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC(C)(C)[N@@H+](C)C[C@@H]3C)cnn2c1 ZINC000067966310 221309393 /nfs/dbraw/zinc/30/93/93/221309393.db2.gz UFDJDYCXXMNTFL-HNNXBMFYSA-N 2 1 372.517 2.126 50 0 FEAAMP c1coc(-c2nc3c(c(N4CC[N@@H+]5CCCC[C@H]5C4)n2)CC[NH2+]CC3)c1 ZINC000230072973 132288790 /nfs/dbraw/zinc/28/87/90/132288790.db2.gz KZEWPLXBMLYMPY-HNNXBMFYSA-N 2 1 353.470 2.099 50 0 FEAAMP COc1cccc(C[NH+]2CCN(c3cc([C@H]4C[C@@H]([NH3+])C4)ncn3)CC2)c1 ZINC000244652028 132290068 /nfs/dbraw/zinc/29/00/68/132290068.db2.gz GYMUZEHLSHBDOO-CALCHBBNSA-N 2 1 353.470 2.012 50 0 FEAAMP O=C(CCC[NH+]1CCOCC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095357839 542959103 /nfs/dbraw/zinc/95/91/03/542959103.db2.gz ZLENNGBGDXHMOE-NHCUHLMSSA-N 2 1 371.525 2.222 50 0 FEAAMP O=C(CCC[NH+]1CCOCC1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095357839 542959108 /nfs/dbraw/zinc/95/91/08/542959108.db2.gz ZLENNGBGDXHMOE-NHCUHLMSSA-N 2 1 371.525 2.222 50 0 FEAAMP C[NH+](C)[C@@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)c1ccc(F)cc1 ZINC000095382484 542965343 /nfs/dbraw/zinc/96/53/43/542965343.db2.gz NQAPYRFZKNCNOB-GOSISDBHSA-N 2 1 365.518 2.468 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1C ZINC000095392227 542968458 /nfs/dbraw/zinc/96/84/58/542968458.db2.gz XROKGHGGJKKJNB-QGZVFWFLSA-N 2 1 351.458 2.143 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1C ZINC000095392227 542968461 /nfs/dbraw/zinc/96/84/61/542968461.db2.gz XROKGHGGJKKJNB-QGZVFWFLSA-N 2 1 351.458 2.143 50 0 FEAAMP CC[NH+]1CCN(CCOc2ccc(C[N@H+]3CCCO[C@@H](C)C3)cc2)CC1 ZINC000215119386 548668684 /nfs/dbraw/zinc/66/86/84/548668684.db2.gz OMDZEPFEHWEPFH-IBGZPJMESA-N 2 1 361.530 2.314 50 0 FEAAMP CN1CC[NH+](CCC(=O)N2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)CC1 ZINC000219726323 548696009 /nfs/dbraw/zinc/69/60/09/548696009.db2.gz HKNIKSUWJSYTIT-FQEVSTJZSA-N 2 1 358.530 2.049 50 0 FEAAMP Cc1c[nH+]ccc1NCCNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000244723891 548893662 /nfs/dbraw/zinc/89/36/62/548893662.db2.gz MJKYCLPQHBDASS-LJQANCHMSA-N 2 1 368.481 2.209 50 0 FEAAMP Cc1c[nH+]ccc1NCCNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000244723891 548893664 /nfs/dbraw/zinc/89/36/64/548893664.db2.gz MJKYCLPQHBDASS-LJQANCHMSA-N 2 1 368.481 2.209 50 0 FEAAMP COc1cc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3C)C2)ccc1OCC[NH3+] ZINC000426425479 571223961 /nfs/dbraw/zinc/22/39/61/571223961.db2.gz RLIUFRVXWOGLTL-MRXNPFEDSA-N 2 1 372.469 2.090 50 0 FEAAMP CCOC(=O)N1CCC([N@@H+]2CC[C@]3(C2)CCC[NH+](CCOC)C3)CC1 ZINC000055226919 670348024 /nfs/dbraw/zinc/34/80/24/670348024.db2.gz OCRSOYLYCDTBQU-LJQANCHMSA-N 2 1 353.507 2.042 50 0 FEAAMP CCOC(=O)N1CCC([N@H+]2CC[C@]3(C2)CCC[NH+](CCOC)C3)CC1 ZINC000055226919 670348028 /nfs/dbraw/zinc/34/80/28/670348028.db2.gz OCRSOYLYCDTBQU-LJQANCHMSA-N 2 1 353.507 2.042 50 0 FEAAMP CCOC(=O)N1CCC([NH+]2CC[C@]3(C2)CCC[N@H+](CCOC)C3)CC1 ZINC000055226919 670348033 /nfs/dbraw/zinc/34/80/33/670348033.db2.gz OCRSOYLYCDTBQU-LJQANCHMSA-N 2 1 353.507 2.042 50 0 FEAAMP CCOC(=O)N1CCC([NH+]2CC[C@]3(C2)CCC[N@@H+](CCOC)C3)CC1 ZINC000055226919 670348037 /nfs/dbraw/zinc/34/80/37/670348037.db2.gz OCRSOYLYCDTBQU-LJQANCHMSA-N 2 1 353.507 2.042 50 0 FEAAMP C[NH+]1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000012302583 539552842 /nfs/dbraw/zinc/55/28/42/539552842.db2.gz FNCIXTZKVIRVHK-HNNXBMFYSA-N 2 1 355.404 2.490 50 0 FEAAMP C[NH+](C)CCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000040719384 540011015 /nfs/dbraw/zinc/01/10/15/540011015.db2.gz YILYPCIRNIVDDN-UHFFFAOYSA-N 2 1 352.442 2.496 50 0 FEAAMP CC1CC[NH+](Cc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)CC1 ZINC000044913806 540144898 /nfs/dbraw/zinc/14/48/98/540144898.db2.gz YMVPZCRIELCLPC-UHFFFAOYSA-N 2 1 372.557 2.286 50 0 FEAAMP COc1ccccc1/C=C/C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCC[NH3+])C1 ZINC000072409863 541806315 /nfs/dbraw/zinc/80/63/15/541806315.db2.gz SSNKEHFSVPUBPX-BBDZXRDTSA-N 2 1 357.498 2.370 50 0 FEAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccncc3)C2)CC1 ZINC000019220697 220240552 /nfs/dbraw/zinc/24/05/52/220240552.db2.gz GVEJTRJPULIRCA-IBGZPJMESA-N 2 1 358.530 2.325 50 0 FEAAMP C[NH+](C)[C@@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)c1cccc(F)c1 ZINC000095370341 542962262 /nfs/dbraw/zinc/96/22/62/542962262.db2.gz OZEPEGHQZCRLKD-GOSISDBHSA-N 2 1 365.518 2.468 50 0 FEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1cc(C)no1)C2 ZINC000095371613 542962570 /nfs/dbraw/zinc/96/25/70/542962570.db2.gz KAHPSHWVJAUMFL-GGPKGHCWSA-N 2 1 363.502 2.322 50 0 FEAAMP NC(=O)C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095505473 542976511 /nfs/dbraw/zinc/97/65/11/542976511.db2.gz FSRWCUHZEUBRQX-GOSISDBHSA-N 2 1 363.477 2.004 50 0 FEAAMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2C[NH+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096138131 222042621 /nfs/dbraw/zinc/04/26/21/222042621.db2.gz RLKXPYJMLYKEEH-PXNSSMCTSA-N 2 1 360.502 2.233 50 0 FEAAMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2C[NH+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096138131 222042623 /nfs/dbraw/zinc/04/26/23/222042623.db2.gz RLKXPYJMLYKEEH-PXNSSMCTSA-N 2 1 360.502 2.233 50 0 FEAAMP Cc1[nH+]ccn1CCC[NH+]1C[C@H]2C[N@@H+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096138131 222042627 /nfs/dbraw/zinc/04/26/27/222042627.db2.gz RLKXPYJMLYKEEH-PXNSSMCTSA-N 2 1 360.502 2.233 50 0 FEAAMP Cc1[nH+]ccn1CCC[NH+]1C[C@H]2C[N@H+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096138131 222042629 /nfs/dbraw/zinc/04/26/29/222042629.db2.gz RLKXPYJMLYKEEH-PXNSSMCTSA-N 2 1 360.502 2.233 50 0 FEAAMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C)nc3C)CC2)CC1 ZINC000187011060 548240442 /nfs/dbraw/zinc/24/04/42/548240442.db2.gz LATNTZOTVAHJDU-UHFFFAOYSA-N 2 1 358.530 2.465 50 0 FEAAMP CC(C)c1[nH+]ccn1CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426604261 559738734 /nfs/dbraw/zinc/73/87/34/559738734.db2.gz IMNDASXLPPHXSZ-UHFFFAOYSA-N 2 1 356.474 2.323 50 0 FEAAMP CCSc1ncc(C[NH2+]Cc2cccnc2N2CCC[N@H+](C)CC2)cn1 ZINC000012055329 539541693 /nfs/dbraw/zinc/54/16/93/539541693.db2.gz XTAVVDYWUYXBPS-UHFFFAOYSA-N 2 1 372.542 2.415 50 0 FEAAMP CCSc1ncc(C[NH2+]Cc2cccnc2N2CCC[N@@H+](C)CC2)cn1 ZINC000012055329 539541700 /nfs/dbraw/zinc/54/17/00/539541700.db2.gz XTAVVDYWUYXBPS-UHFFFAOYSA-N 2 1 372.542 2.415 50 0 FEAAMP Cc1[nH+]ccn1CC1CCN(C(=O)CSCC[NH+]2CCCC2)CC1 ZINC000244873422 222940977 /nfs/dbraw/zinc/94/09/77/222940977.db2.gz WQAUXEURHONMOW-UHFFFAOYSA-N 2 1 350.532 2.259 50 0 FEAAMP COc1ccc(C[NH2+]C2CCOCC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012470143 220000690 /nfs/dbraw/zinc/00/06/90/220000690.db2.gz RREWBJKIWIHCDL-GOSISDBHSA-N 2 1 366.502 2.044 50 0 FEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3cccc(OC(F)F)c3)CC[C@H]21 ZINC000072424712 541810143 /nfs/dbraw/zinc/81/01/43/541810143.db2.gz DOPAVQOIOYMBGW-DOTOQJQBSA-N 2 1 367.440 2.320 50 0 FEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCOc1ccccc1)CC[NH+](C)CC2 ZINC000072470091 541818490 /nfs/dbraw/zinc/81/84/90/541818490.db2.gz UYPLEHAYDFKBNO-LJQANCHMSA-N 2 1 359.514 2.378 50 0 FEAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCC3(O)CCCCC3)C2)CC1 ZINC000012715700 220020907 /nfs/dbraw/zinc/02/09/07/220020907.db2.gz IVQBZHVUWVFLGQ-GOSISDBHSA-N 2 1 365.562 2.383 50 0 FEAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCOCC1 ZINC000067772659 221283348 /nfs/dbraw/zinc/28/33/48/221283348.db2.gz RUWZGLMMQXQXEU-FQEVSTJZSA-N 2 1 371.525 2.222 50 0 FEAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCOCC1 ZINC000067772659 221283350 /nfs/dbraw/zinc/28/33/50/221283350.db2.gz RUWZGLMMQXQXEU-FQEVSTJZSA-N 2 1 371.525 2.222 50 0 FEAAMP CCc1cc(N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC)nc(N(C)C)[nH+]1 ZINC000091974100 132204930 /nfs/dbraw/zinc/20/49/30/132204930.db2.gz OHXCGXTYJGJASD-UHFFFAOYSA-N 2 1 369.517 2.202 50 0 FEAAMP COc1cc(C[N@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)ccc1F ZINC000092065503 542842139 /nfs/dbraw/zinc/84/21/39/542842139.db2.gz RJDUJIGCIGJBEZ-HXUWFJFHSA-N 2 1 366.477 2.130 50 0 FEAAMP Cc1ccccc1[C@H](C(=O)N1CCC([NH+]2CCC(O)CC2)CC1)[NH+](C)C ZINC000095371904 542962540 /nfs/dbraw/zinc/96/25/40/542962540.db2.gz QHHWBJNGTNJMQF-HXUWFJFHSA-N 2 1 359.514 2.045 50 0 FEAAMP C[N@@H+](CCO)Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095497087 542973279 /nfs/dbraw/zinc/97/32/79/542973279.db2.gz OGFKFUIEQNALNV-GOSISDBHSA-N 2 1 370.921 2.380 50 0 FEAAMP O=C(CC[NH+]1CCCCCCC1)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095501346 542975433 /nfs/dbraw/zinc/97/54/33/542975433.db2.gz CRGLFVQOMLCXRM-NRFANRHFSA-N 2 1 373.541 2.348 50 0 FEAAMP CN1CCC([N@H+]2CCC[C@@H](NC(=O)c3cnn(-c4ccccc4)c3)C2)CC1 ZINC000020454855 263380222 /nfs/dbraw/zinc/38/02/22/263380222.db2.gz DMMDMBCOAQYTMQ-GOSISDBHSA-N 2 1 367.497 2.161 50 0 FEAAMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000263338112 524655534 /nfs/dbraw/zinc/65/55/34/524655534.db2.gz ODSKVVCBQSVGLX-NSHGMRRFSA-N 2 1 358.530 2.094 50 0 FEAAMP CC[NH+]1CCN(CCOc2ccc(C[N@H+]3CCCO[C@H](C)C3)cc2)CC1 ZINC000215119342 548668428 /nfs/dbraw/zinc/66/84/28/548668428.db2.gz OMDZEPFEHWEPFH-LJQANCHMSA-N 2 1 361.530 2.314 50 0 FEAAMP COCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-c3cc(N)cc[nH+]3)cc2)C1 ZINC000426370401 571216132 /nfs/dbraw/zinc/21/61/32/571216132.db2.gz YJPKLTDSUGKXAK-HNNXBMFYSA-N 2 1 354.454 2.029 50 0 FEAAMP CCc1[nH+]ccn1CCC(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000299783623 529759940 /nfs/dbraw/zinc/75/99/40/529759940.db2.gz WDQQJBLRXKJURC-UHFFFAOYSA-N 2 1 356.470 2.322 50 0 FEAAMP O[C@@H](Cn1ccc2ccccc21)C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000004299561 539381890 /nfs/dbraw/zinc/38/18/90/539381890.db2.gz YIKVGKGVFYPZHE-URVUXULASA-N 2 1 371.525 2.360 50 0 FEAAMP CCOc1cc(C[NH2+]CCC[NH2+]C)ccc1OCC(=O)NC(C)(C)C ZINC000008254409 539481623 /nfs/dbraw/zinc/48/16/23/539481623.db2.gz ABVIWHTXTJXHPO-UHFFFAOYSA-N 2 1 351.491 2.078 50 0 FEAAMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)s1 ZINC000058174052 540831552 /nfs/dbraw/zinc/83/15/52/540831552.db2.gz OIPZVWXPABCLMD-HNNXBMFYSA-N 2 1 359.561 2.093 50 0 FEAAMP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+](C[C@@H]3CCOC3)CC2)OC1=O ZINC000072469458 541818974 /nfs/dbraw/zinc/81/89/74/541818974.db2.gz MQDXXZVWESSHCL-SFHVURJKSA-N 2 1 367.534 2.288 50 0 FEAAMP Cc1cc(Cl)c(OCCOCC[NH2+]CC[NH3+])c(Br)c1 ZINC000020118370 220314559 /nfs/dbraw/zinc/31/45/59/220314559.db2.gz SXSLNRBIZVEESC-UHFFFAOYSA-N 2 1 351.672 2.355 50 0 FEAAMP CC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)C[NH+]3CCCC3)CC2)[C@H]1O ZINC000020538112 220333814 /nfs/dbraw/zinc/33/38/14/220333814.db2.gz WUJIVUZDIZLMSK-RTWAWAEBSA-N 2 1 371.525 2.010 50 0 FEAAMP COc1ccc(CCNC(=[NH2+])NCc2ccnc(-n3cc[nH+]c3C)c2)cc1 ZINC000058369728 221116102 /nfs/dbraw/zinc/11/61/02/221116102.db2.gz VFEZXNHBIKJOSR-UHFFFAOYSA-N 2 1 364.453 2.441 50 0 FEAAMP CC(C)[NH+]1CCC([C@H]2[NH2+][C@@H](CO)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000065428841 221219207 /nfs/dbraw/zinc/21/92/07/221219207.db2.gz NJCJLDQKJDJXJF-LNRXMEIDSA-N 3 1 357.542 2.188 50 0 FEAAMP CC(C)[NH+]1CCC([C@H]2[NH2+][C@@H](CO)[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000065428841 221219213 /nfs/dbraw/zinc/21/92/13/221219213.db2.gz NJCJLDQKJDJXJF-LNRXMEIDSA-N 2 1 357.542 2.188 50 0 FEAAMP CCc1cc(N2CCC([NH2+][C@@H]3CC[C@@H]([NH3+])C3)CC2)nc(N2CCCC2)n1 ZINC000095502317 132212188 /nfs/dbraw/zinc/21/21/88/132212188.db2.gz VXZGTCHAIAXDDT-CRAIPNDOSA-N 2 1 358.534 2.077 50 0 FEAAMP CC[NH+]1CCN(c2ccc(C(=O)N(C)C3CCC([NH3+])CC3)cc2F)CC1 ZINC000236992162 132242934 /nfs/dbraw/zinc/24/29/34/132242934.db2.gz SKOCIWBVCVFSJH-UHFFFAOYSA-N 2 1 362.493 2.310 50 0 FEAAMP COCC[N@@H+](C)C[C@@H]1CN(c2cc[nH+]c3c(C)c(C)ccc23)C[C@@H]1CO ZINC000091952043 542833911 /nfs/dbraw/zinc/83/39/11/542833911.db2.gz ZERCFRXRUUAWGA-QZTJIDSGSA-N 2 1 357.498 2.475 50 0 FEAAMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 ZINC000092046429 542841457 /nfs/dbraw/zinc/84/14/57/542841457.db2.gz BKKNVSZVUJPWEK-LJQANCHMSA-N 2 1 374.529 2.465 50 0 FEAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2CO)CC1 ZINC000095353459 542957438 /nfs/dbraw/zinc/95/74/38/542957438.db2.gz UAZMHMGVIZAQJU-FMEUAVTJSA-N 2 1 361.505 2.017 50 0 FEAAMP C[NH+]1CCC(C)(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000426369165 263567033 /nfs/dbraw/zinc/56/70/33/263567033.db2.gz JGMYCPGMAIFFSO-IBGZPJMESA-N 2 1 359.514 2.126 50 0 FEAAMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000261917812 328829159 /nfs/dbraw/zinc/82/91/59/328829159.db2.gz IHGJQBVEAYPDFS-HXUWFJFHSA-N 2 1 365.477 2.170 50 0 FEAAMP Cc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000299793493 533873447 /nfs/dbraw/zinc/87/34/47/533873447.db2.gz HRXSHMYJOICAOR-FQEVSTJZSA-N 2 1 359.514 2.186 50 0 FEAAMP Cc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000299793493 533873453 /nfs/dbraw/zinc/87/34/53/533873453.db2.gz HRXSHMYJOICAOR-FQEVSTJZSA-N 2 1 359.514 2.186 50 0 FEAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2CO)CC1 ZINC000091636184 521686143 /nfs/dbraw/zinc/68/61/43/521686143.db2.gz CXSZVNLCJWVGLB-QZTJIDSGSA-N 2 1 351.922 2.018 50 0 FEAAMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000237409871 525017491 /nfs/dbraw/zinc/01/74/91/525017491.db2.gz GEGXJXFHOJBJDR-WOCWXWTJSA-N 2 1 359.514 2.430 50 0 FEAAMP Nc1nc(C2CC([NH3+])C2)cc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000222464558 548708910 /nfs/dbraw/zinc/70/89/10/548708910.db2.gz HFQUATBKSFNIHR-UHFFFAOYSA-N 2 1 370.476 2.115 50 0 FEAAMP [NH3+][C@H]1C[C@@H](c2cc(N3CCC[N@H+](C4Cc5ccccc5C4)CC3)ncn2)C1 ZINC000244626820 548891908 /nfs/dbraw/zinc/89/19/08/548891908.db2.gz FTHYWNOYQJJHRQ-KDURUIRLSA-N 2 1 363.509 2.361 50 0 FEAAMP Cc1cccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)n1 ZINC000039490452 571089389 /nfs/dbraw/zinc/08/93/89/571089389.db2.gz ZRKWMSDHGHBICQ-OAQYLSRUSA-N 2 1 360.546 2.131 50 0 FEAAMP Cc1cccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)n1 ZINC000039490452 571089390 /nfs/dbraw/zinc/08/93/90/571089390.db2.gz ZRKWMSDHGHBICQ-OAQYLSRUSA-N 2 1 360.546 2.131 50 0 FEAAMP COc1ccc(C(=O)N(C)Cc2ccc3c(c2)C[N@H+](C)C3)cc1OCC[NH3+] ZINC000426443464 571225977 /nfs/dbraw/zinc/22/59/77/571225977.db2.gz VFUAYBYKUDVGCE-UHFFFAOYSA-N 2 1 369.465 2.250 50 0 FEAAMP CCc1ccccc1OCCN(C)C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072448327 541815949 /nfs/dbraw/zinc/81/59/49/541815949.db2.gz FWZIBKYWQUIZPZ-GOSISDBHSA-N 2 1 359.514 2.160 50 0 FEAAMP C(c1c2c(c(C[NH+]3CCOCC3)c3c1CCC3)CCC2)[NH+]1CCOCC1 ZINC000019802248 220299182 /nfs/dbraw/zinc/29/91/82/220299182.db2.gz AEGITEIJXLRZQB-UHFFFAOYSA-N 2 1 356.510 2.328 50 0 FEAAMP C[NH2+]C1CC[NH+](C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1 ZINC000067954447 221307608 /nfs/dbraw/zinc/30/76/08/221307608.db2.gz RUUPSVGNUWHKRE-JOCHJYFZSA-N 2 1 373.541 2.347 50 0 FEAAMP CN(C)c1nccnc1N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095356012 132207142 /nfs/dbraw/zinc/20/71/42/132207142.db2.gz ISELKJBVSGPNDU-INIZCTEOSA-N 2 1 357.506 2.075 50 0 FEAAMP CC[N@H+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000253417908 132293767 /nfs/dbraw/zinc/29/37/67/132293767.db2.gz LDNJUKBMDLYHBR-LJQANCHMSA-N 2 1 358.530 2.141 50 0 FEAAMP C[NH+](C)[C@H]1CCCN(c2ncnc3c2CC[N@@H+](Cc2ccco2)CC3)C1 ZINC000072454149 136148515 /nfs/dbraw/zinc/14/85/15/136148515.db2.gz AUABMFVOOKKUSB-INIZCTEOSA-N 2 1 355.486 2.201 50 0 FEAAMP Cc1cc(C)c(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)cc1C ZINC000091664733 524264256 /nfs/dbraw/zinc/26/42/56/524264256.db2.gz MWPYIGNNTVSURT-FGZHOGPDSA-N 2 1 360.542 2.356 50 0 FEAAMP CC(C)([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072158038 535193861 /nfs/dbraw/zinc/19/38/61/535193861.db2.gz IFLSSGMSUIWKOR-QGZVFWFLSA-N 2 1 364.921 2.190 50 0 FEAAMP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)cc2)o1 ZINC000216237355 548675528 /nfs/dbraw/zinc/67/55/28/548675528.db2.gz RZZRKWCSULTTCU-PMACEKPBSA-N 2 1 355.482 2.048 50 0 FEAAMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)cc2)o1 ZINC000216237355 548675531 /nfs/dbraw/zinc/67/55/31/548675531.db2.gz RZZRKWCSULTTCU-PMACEKPBSA-N 2 1 355.482 2.048 50 0 FEAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000225413938 548733498 /nfs/dbraw/zinc/73/34/98/548733498.db2.gz ATWOVXPUPSYYAA-FUHWJXTLSA-N 2 1 369.550 2.268 50 0 FEAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000246495094 549146486 /nfs/dbraw/zinc/14/64/86/549146486.db2.gz ATWOVXPUPSYYAA-SJLPKXTDSA-N 2 1 369.550 2.268 50 0 FEAAMP O=C1[C@H](N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000252569088 549674871 /nfs/dbraw/zinc/67/48/71/549674871.db2.gz VYQAIBMJIACFCN-MJSCVDMRSA-N 2 1 361.436 2.486 50 0 FEAAMP CC[C@H]1C[N@H+](C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC[C@H]1[NH3+] ZINC000253370457 549684599 /nfs/dbraw/zinc/68/45/99/549684599.db2.gz RDLFOMPUFCHVNJ-QFBILLFUSA-N 2 1 365.543 2.207 50 0 FEAAMP C[N@H+]1CC[C@@H](CNC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000426582762 559738292 /nfs/dbraw/zinc/73/82/92/559738292.db2.gz GLIZPMOZANZXFO-IBGZPJMESA-N 2 1 358.530 2.287 50 0 FEAAMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1 ZINC000685941696 571102030 /nfs/dbraw/zinc/10/20/30/571102030.db2.gz GCFDVQUDFOPZNB-MRXNPFEDSA-N 2 1 356.474 2.029 50 0 FEAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CSC ZINC000012056169 539541958 /nfs/dbraw/zinc/54/19/58/539541958.db2.gz RTSUTSFXTZOUSP-SFHVURJKSA-N 2 1 371.591 2.021 50 0 FEAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000057127527 540770577 /nfs/dbraw/zinc/77/05/77/540770577.db2.gz BMVARYDEUYPGAR-IYBDPMFKSA-N 2 1 370.501 2.353 50 0 FEAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000057127527 540770581 /nfs/dbraw/zinc/77/05/81/540770581.db2.gz BMVARYDEUYPGAR-IYBDPMFKSA-N 2 1 370.501 2.353 50 0 FEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](CCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000072440508 541814773 /nfs/dbraw/zinc/81/47/73/541814773.db2.gz ZKEJFNOKRPPUIV-MAUKXSAKSA-N 2 1 365.905 2.251 50 0 FEAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@H]([NH+]1CCCCC1)C2 ZINC000014532400 220125770 /nfs/dbraw/zinc/12/57/70/220125770.db2.gz LEMGAEYHXKHYPB-KRWDZBQOSA-N 2 1 373.545 2.024 50 0 FEAAMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077299491 542363158 /nfs/dbraw/zinc/36/31/58/542363158.db2.gz RSIPRXWYPKYVME-HXUWFJFHSA-N 2 1 373.541 2.122 50 0 FEAAMP CC(C)n1cc[nH+]c1Cn1nc(C2CC[NH2+]CC2)n(-c2ccccc2)c1=O ZINC000067491344 221257459 /nfs/dbraw/zinc/25/74/59/221257459.db2.gz XJORPWLUDSIYRT-UHFFFAOYSA-N 2 1 366.469 2.327 50 0 FEAAMP CCC[NH+]1CCC([N@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](NC(C)=O)C2)CC1 ZINC000091350882 542805413 /nfs/dbraw/zinc/80/54/13/542805413.db2.gz HDSJWAUZLVFJKN-LEWJYISDSA-N 2 1 359.514 2.474 50 0 FEAAMP CCC[NH+]1CCC([N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](NC(C)=O)C2)CC1 ZINC000091350882 542805417 /nfs/dbraw/zinc/80/54/17/542805417.db2.gz HDSJWAUZLVFJKN-LEWJYISDSA-N 2 1 359.514 2.474 50 0 FEAAMP Cc1ccccc1CSc1nc(NC[C@@]2(O)CCC[NH2+]C2)cc(N)[nH+]1 ZINC000095385113 542965952 /nfs/dbraw/zinc/96/59/52/542965952.db2.gz BAUISHVBOQWZFC-GOSISDBHSA-N 2 1 359.499 2.186 50 0 FEAAMP Cc1ccccc1CSc1nc(N)cc(NC[C@@]2(O)CCC[NH2+]C2)[nH+]1 ZINC000095385113 542965954 /nfs/dbraw/zinc/96/59/54/542965954.db2.gz BAUISHVBOQWZFC-GOSISDBHSA-N 2 1 359.499 2.186 50 0 FEAAMP CN1CC[NH+](Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095529283 542981943 /nfs/dbraw/zinc/98/19/43/542981943.db2.gz JEOZJOWSFHCSOU-FQEVSTJZSA-N 2 1 361.530 2.050 50 0 FEAAMP C[N@H+]1CC2(C[C@H]1C(=O)NCCOCc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000072475362 221548669 /nfs/dbraw/zinc/54/86/69/221548669.db2.gz XIQMGWNMBMQYDW-KRWDZBQOSA-N 2 1 365.905 2.047 50 0 FEAAMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](C2CCOCC2)CC1)c1cccc(F)c1 ZINC000220465212 548701228 /nfs/dbraw/zinc/70/12/28/548701228.db2.gz CDKQYRROVYEDHK-IBGZPJMESA-N 2 1 363.477 2.188 50 0 FEAAMP CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000223185263 548717422 /nfs/dbraw/zinc/71/74/22/548717422.db2.gz UIKOLJURXGKGEL-PMACEKPBSA-N 2 1 359.514 2.090 50 0 FEAAMP CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000223185263 548717425 /nfs/dbraw/zinc/71/74/25/548717425.db2.gz UIKOLJURXGKGEL-PMACEKPBSA-N 2 1 359.514 2.090 50 0 FEAAMP c1ccc(OCCC[NH+]2CCOCC2)c(CN2[C@@H]3CC[C@H]2C[NH2+]CC3)c1 ZINC000244778701 548895339 /nfs/dbraw/zinc/89/53/39/548895339.db2.gz PVACNMXZEDUZRS-UXHICEINSA-N 2 1 359.514 2.114 50 0 FEAAMP COc1ccccc1CCNC(=O)C[NH+]1CCC(Cn2cc[nH+]c2C)CC1 ZINC000252494864 549669776 /nfs/dbraw/zinc/66/97/76/549669776.db2.gz OGVJTCWFVSAXOR-UHFFFAOYSA-N 2 1 370.497 2.271 50 0 FEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1cncs1)C2 ZINC000095390949 670759345 /nfs/dbraw/zinc/75/93/45/670759345.db2.gz GEGDNMRSIHSNLY-LMMKCTJWSA-N 2 1 365.543 2.483 50 0 FEAAMP C[N@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1)Cc1cnccn1 ZINC000012431124 539559354 /nfs/dbraw/zinc/55/93/54/539559354.db2.gz RVHXDLDKRDCDFN-FQEVSTJZSA-N 2 1 370.497 2.334 50 0 FEAAMP C[N@@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1)Cc1cnccn1 ZINC000012431124 539559357 /nfs/dbraw/zinc/55/93/57/539559357.db2.gz RVHXDLDKRDCDFN-FQEVSTJZSA-N 2 1 370.497 2.334 50 0 FEAAMP CC(C)[NH+]1CCN(c2ccc(C(=O)NCC[C@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000014964601 539607849 /nfs/dbraw/zinc/60/78/49/539607849.db2.gz IZTCVZPZQCEQKN-LJQANCHMSA-N 2 1 373.545 2.216 50 0 FEAAMP CCN(CCNC(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2)c1cccc(C)c1 ZINC000072410974 541807397 /nfs/dbraw/zinc/80/73/97/541807397.db2.gz UUEGJTRJWGDFMV-IBGZPJMESA-N 2 1 358.530 2.011 50 0 FEAAMP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)c2cc(F)ccc21 ZINC000072431153 541812751 /nfs/dbraw/zinc/81/27/51/541812751.db2.gz LXIBXVUDQPYVPH-KBXCAEBGSA-N 2 1 358.461 2.089 50 0 FEAAMP Cn1nc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)c2c1cccc2Cl ZINC000067696060 221273858 /nfs/dbraw/zinc/27/38/58/221273858.db2.gz NVQRSXUXFDIPLI-UHFFFAOYSA-N 2 1 361.921 2.439 50 0 FEAAMP Cn1nc(C[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)c2c1cccc2Cl ZINC000067696060 221273860 /nfs/dbraw/zinc/27/38/60/221273860.db2.gz NVQRSXUXFDIPLI-UHFFFAOYSA-N 2 1 361.921 2.439 50 0 FEAAMP Cc1ccnc(-n2cccc2C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)c1 ZINC000067817947 221290145 /nfs/dbraw/zinc/29/01/45/221290145.db2.gz OVZUEJNMZKYTJA-UHFFFAOYSA-N 2 1 353.514 2.393 50 0 FEAAMP CC(C)C[N@@H+](C)Cc1c(C(=O)N2CCC[NH+](C)CC2)nc2sccn12 ZINC000071749056 221361294 /nfs/dbraw/zinc/36/12/94/221361294.db2.gz DBBWKLKHKVGRRH-UHFFFAOYSA-N 2 1 363.531 2.261 50 0 FEAAMP CC(C)C[NH+](C)Cc1c(C(=O)N2CCC[N@H+](C)CC2)nc2sccn12 ZINC000071749056 221361297 /nfs/dbraw/zinc/36/12/97/221361297.db2.gz DBBWKLKHKVGRRH-UHFFFAOYSA-N 2 1 363.531 2.261 50 0 FEAAMP CC(C)C[NH+](C)Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12 ZINC000071749056 221361299 /nfs/dbraw/zinc/36/12/99/221361299.db2.gz DBBWKLKHKVGRRH-UHFFFAOYSA-N 2 1 363.531 2.261 50 0 FEAAMP CC[N@@H+](C)C[C@@H]1C[NH+](C2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]1CO ZINC000091974396 132205145 /nfs/dbraw/zinc/20/51/45/132205145.db2.gz CGQHVGMOMRHPCI-HZPDHXFCSA-N 2 1 367.484 2.426 50 0 FEAAMP CC[NH+](C)C[C@@H]1C[N@@H+](C2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]1CO ZINC000091974396 132205146 /nfs/dbraw/zinc/20/51/46/132205146.db2.gz CGQHVGMOMRHPCI-HZPDHXFCSA-N 2 1 367.484 2.426 50 0 FEAAMP CC[NH+](C)C[C@@H]1C[N@H+](C2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]1CO ZINC000091974396 132205147 /nfs/dbraw/zinc/20/51/47/132205147.db2.gz CGQHVGMOMRHPCI-HZPDHXFCSA-N 2 1 367.484 2.426 50 0 FEAAMP Cc1cc(N2CC[NH+](Cc3cnc(N4CCOCC4)s3)CC2)cc(C)[nH+]1 ZINC000215636783 132270370 /nfs/dbraw/zinc/27/03/70/132270370.db2.gz HXHZBCSYAOUIGS-UHFFFAOYSA-N 2 1 373.526 2.314 50 0 FEAAMP C[NH+](C)[C@H](C(=O)NCCCOC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000095382838 542965437 /nfs/dbraw/zinc/96/54/37/542965437.db2.gz FQRIMVDOGSRGJM-SFHVURJKSA-N 2 1 351.466 2.046 50 0 FEAAMP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)N(C3CC3)C3CCCC3)C2)CC1 ZINC000095405707 542969290 /nfs/dbraw/zinc/96/92/90/542969290.db2.gz WRWJJKZWBICWJV-FQEVSTJZSA-N 2 1 362.562 2.022 50 0 FEAAMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)N(C3CC3)C3CCCC3)C2)CC1 ZINC000095405707 542969292 /nfs/dbraw/zinc/96/92/92/542969292.db2.gz WRWJJKZWBICWJV-FQEVSTJZSA-N 2 1 362.562 2.022 50 0 FEAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](CC(N)=O)C[C@H]2CCCO2)CC1 ZINC000095510549 542977110 /nfs/dbraw/zinc/97/71/10/542977110.db2.gz FIIMILCFBSIRRV-HXUWFJFHSA-N 2 1 359.514 2.173 50 0 FEAAMP c1cn(CCC2=CSC3=[NH+]CCCN23)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000101186165 222265616 /nfs/dbraw/zinc/26/56/16/222265616.db2.gz CEGNYNIKKIHJCY-UHFFFAOYSA-N 2 1 369.498 2.280 50 0 FEAAMP CN1CCC([N@H+]2CCC[C@@H](C(=O)NCC3([NH+](C)C)CCCCC3)C2)CC1 ZINC000020452307 263380076 /nfs/dbraw/zinc/38/00/76/263380076.db2.gz QFQHJYNSERTBLB-GOSISDBHSA-N 3 1 364.578 2.173 50 0 FEAAMP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000020452307 263380078 /nfs/dbraw/zinc/38/00/78/263380078.db2.gz QFQHJYNSERTBLB-GOSISDBHSA-N 3 1 364.578 2.173 50 0 FEAAMP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000020452307 263380081 /nfs/dbraw/zinc/38/00/81/263380081.db2.gz QFQHJYNSERTBLB-GOSISDBHSA-N 3 1 364.578 2.173 50 0 FEAAMP CCC[N@@H+]1CCCn2nc(CNC(=O)C[C@@H](C)n3cc[nH+]c3C)cc2C1 ZINC000082160466 519855080 /nfs/dbraw/zinc/85/50/80/519855080.db2.gz VZNAQRQLZJLDKY-OAHLLOKOSA-N 2 1 358.490 2.271 50 0 FEAAMP CCC[N@H+]1CCCn2nc(CNC(=O)C[C@@H](C)n3cc[nH+]c3C)cc2C1 ZINC000082160466 519855081 /nfs/dbraw/zinc/85/50/81/519855081.db2.gz VZNAQRQLZJLDKY-OAHLLOKOSA-N 2 1 358.490 2.271 50 0 FEAAMP CCN1CCC[C@H]1C[N@@H+](CC1CC[NH+](CCOC)CC1)C1CCOCC1 ZINC000020996836 521653645 /nfs/dbraw/zinc/65/36/45/521653645.db2.gz STUAFXWFWARJIG-NRFANRHFSA-N 2 1 367.578 2.310 50 0 FEAAMP O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000091651109 526310781 /nfs/dbraw/zinc/31/07/81/526310781.db2.gz MUDJGEFCLDRLBE-FQEVSTJZSA-N 2 1 359.514 2.249 50 0 FEAAMP Cc1c[nH+]ccc1N1CCCN(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000426544409 559737499 /nfs/dbraw/zinc/73/74/99/559737499.db2.gz PITRCWPKIHWPCB-GOSISDBHSA-N 2 1 359.518 2.342 50 0 FEAAMP CCc1[nH+]ccn1CCNC(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000534584405 562537441 /nfs/dbraw/zinc/53/74/41/562537441.db2.gz SLTRDJVGPMEAIR-UHFFFAOYSA-N 2 1 356.474 2.071 50 0 FEAAMP COc1ccc(C[NH2+]CCSC)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000011844396 669999711 /nfs/dbraw/zinc/99/97/11/669999711.db2.gz YYNPVUFKKUKQQT-INIZCTEOSA-N 2 1 356.532 2.228 50 0 FEAAMP CCOc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCC(=O)NC(C)(C)C ZINC000008254407 219855615 /nfs/dbraw/zinc/85/56/15/219855615.db2.gz FHUUDHLOULCJIX-UHFFFAOYSA-N 2 1 365.518 2.420 50 0 FEAAMP CCc1cccc(OCCN(C)C(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c1 ZINC000072418818 541808279 /nfs/dbraw/zinc/80/82/79/541808279.db2.gz OMWPCPHBQBZABG-IBGZPJMESA-N 2 1 359.514 2.160 50 0 FEAAMP COc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072430778 541812872 /nfs/dbraw/zinc/81/28/72/541812872.db2.gz BZPZKYNWVMZAKD-INIZCTEOSA-N 2 1 365.905 2.381 50 0 FEAAMP CN1C[C@]2(CCC[N@@H+](Cc3ccccc3OCCC[NH+](C)C)C2)OC1=O ZINC000072479599 541821639 /nfs/dbraw/zinc/82/16/39/541821639.db2.gz ALYRXZKRTFOVED-FQEVSTJZSA-N 2 1 361.486 2.434 50 0 FEAAMP Cc1ccc(C2(C[N@H+]3CCC[C@@H](CN4CCCC4=O)C3)CC[NH2+]CC2)nc1 ZINC000065501499 221226880 /nfs/dbraw/zinc/22/68/80/221226880.db2.gz QRKSBUWDODEMQX-LJQANCHMSA-N 2 1 370.541 2.346 50 0 FEAAMP C[N@H+]1CCC[C@H]1CCn1nc(C2CC[NH2+]CC2)n(Cc2ccccc2)c1=O ZINC000067908379 221304055 /nfs/dbraw/zinc/30/40/55/221304055.db2.gz MOWZTDGQWGHARO-IBGZPJMESA-N 2 1 369.513 2.044 50 0 FEAAMP Cc1ccccc1CN(CCO)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071764639 221370677 /nfs/dbraw/zinc/37/06/77/221370677.db2.gz DEAMFHFNVNICQK-HXUWFJFHSA-N 2 1 373.541 2.122 50 0 FEAAMP Cc1ccccc1CN(CCO)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071764639 221370681 /nfs/dbraw/zinc/37/06/81/221370681.db2.gz DEAMFHFNVNICQK-HXUWFJFHSA-N 2 1 373.541 2.122 50 0 FEAAMP CN(CCCC[NH+]1CCOCC1)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095389451 542968155 /nfs/dbraw/zinc/96/81/55/542968155.db2.gz QOZHWJLYVZMKEK-FQEVSTJZSA-N 2 1 359.514 2.338 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@H+](Cc3cccc(C)n3)C2)n1C ZINC000095391582 542968392 /nfs/dbraw/zinc/96/83/92/542968392.db2.gz VAGKGBRAPUCQCZ-KRWDZBQOSA-N 2 1 365.485 2.451 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@@H+](Cc3cccc(C)n3)C2)n1C ZINC000095391582 542968395 /nfs/dbraw/zinc/96/83/95/542968395.db2.gz VAGKGBRAPUCQCZ-KRWDZBQOSA-N 2 1 365.485 2.451 50 0 FEAAMP O[C@@H](COc1cccc(C[N@H+]2CCCCC23CC3)c1)C[NH+]1CCC(O)CC1 ZINC000095501658 542975372 /nfs/dbraw/zinc/97/53/72/542975372.db2.gz RAPUDVHQEHPSHR-HXUWFJFHSA-N 2 1 374.525 2.402 50 0 FEAAMP CCN1CCC[C@@H]1C[N@@H+](CC1CC[NH+](CCOC)CC1)C1CCOCC1 ZINC000020996835 521633277 /nfs/dbraw/zinc/63/32/77/521633277.db2.gz STUAFXWFWARJIG-OAQYLSRUSA-N 2 1 367.578 2.310 50 0 FEAAMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1OCCN1CCOCC1)CC2 ZINC000215489887 548671623 /nfs/dbraw/zinc/67/16/23/548671623.db2.gz IJDVFKSJXGQTEF-UHFFFAOYSA-N 2 1 373.541 2.315 50 0 FEAAMP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@@H+](CCSc1ccccc1)C2 ZINC000219231761 548692687 /nfs/dbraw/zinc/69/26/87/548692687.db2.gz ISXLHVUTCUDNPM-IBGZPJMESA-N 2 1 360.527 2.476 50 0 FEAAMP C[C@@H]1C[C@@H](N(C)C(=O)C[NH2+]C[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000237564747 548834052 /nfs/dbraw/zinc/83/40/52/548834052.db2.gz OTMPFKBIDHNECQ-HOJAQTOUSA-N 2 1 359.514 2.267 50 0 FEAAMP COc1cc(C[N@@H+](C)C(C)C)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012297434 670001734 /nfs/dbraw/zinc/00/17/34/670001734.db2.gz LOLXHKLADBELDJ-QGZVFWFLSA-N 2 1 368.543 2.324 50 0 FEAAMP O[C@@H](Cn1ccc2ccccc21)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000004299559 539381867 /nfs/dbraw/zinc/38/18/67/539381867.db2.gz YIKVGKGVFYPZHE-SJBKTWHCSA-N 2 1 371.525 2.360 50 0 FEAAMP C[NH+]1CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000012302585 539553260 /nfs/dbraw/zinc/55/32/60/539553260.db2.gz FNCIXTZKVIRVHK-OAHLLOKOSA-N 2 1 355.404 2.490 50 0 FEAAMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](Cn2cc(C[NH3+])nn2)C1 ZINC000023506052 539715910 /nfs/dbraw/zinc/71/59/10/539715910.db2.gz LMGGDFZVPCFTEC-KRWDZBQOSA-N 2 1 365.485 2.143 50 0 FEAAMP Cc1ccc(NC(=O)COc2ccccc2C[NH2+]CCC[NH2+]CCO)cc1 ZINC000040720748 540011111 /nfs/dbraw/zinc/01/11/11/540011111.db2.gz UFSSFKPIJRGNLY-UHFFFAOYSA-N 2 1 371.481 2.074 50 0 FEAAMP COCC[N@H+]1CCC[C@H](C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000299769388 223088089 /nfs/dbraw/zinc/08/80/89/223088089.db2.gz MUUIZHQZNKWOEX-NRFANRHFSA-N 2 1 373.541 2.341 50 0 FEAAMP COCC[N@H+](C)CC(=O)N1CCC[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC000072421866 541808754 /nfs/dbraw/zinc/80/87/54/541808754.db2.gz KVNUCKSXVRTKQH-JOCHJYFZSA-N 2 1 373.541 2.469 50 0 FEAAMP COCC[N@@H+](C)CC(=O)N1CCC[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC000072421866 541808757 /nfs/dbraw/zinc/80/87/57/541808757.db2.gz KVNUCKSXVRTKQH-JOCHJYFZSA-N 2 1 373.541 2.469 50 0 FEAAMP COCC[NH+](C)CC(=O)N1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072421866 541808759 /nfs/dbraw/zinc/80/87/59/541808759.db2.gz KVNUCKSXVRTKQH-JOCHJYFZSA-N 2 1 373.541 2.469 50 0 FEAAMP COCC[NH+](C)CC(=O)N1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000072421866 541808762 /nfs/dbraw/zinc/80/87/62/541808762.db2.gz KVNUCKSXVRTKQH-JOCHJYFZSA-N 2 1 373.541 2.469 50 0 FEAAMP [NH3+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)CC[C@H]21 ZINC000072475246 541819682 /nfs/dbraw/zinc/81/96/82/541819682.db2.gz HUMAFLUVUVTOSC-QFBILLFUSA-N 2 1 354.454 2.113 50 0 FEAAMP CCc1[nH+]ccn1CCC[NH2+]Cc1c(C)n(CC(N)=O)c2ccccc21 ZINC000055154317 221060379 /nfs/dbraw/zinc/06/03/79/221060379.db2.gz KGXIKFMWBGHIOG-UHFFFAOYSA-N 2 1 353.470 2.374 50 0 FEAAMP Cc1ccc(NC(=O)C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058167681 221101679 /nfs/dbraw/zinc/10/16/79/221101679.db2.gz FBSSDYUTGRNPON-UHFFFAOYSA-N 2 1 366.509 2.341 50 0 FEAAMP COc1cc2c(cc1C[N@@H+]1CCCN(C)C3(CC[NH+](C)CC3)C1)OCO2 ZINC000067588648 221261492 /nfs/dbraw/zinc/26/14/92/221261492.db2.gz RXOQFDWYCXGXMF-UHFFFAOYSA-N 2 1 361.486 2.026 50 0 FEAAMP COc1cc2c(cc1C[N@H+]1CCCN(C)C3(CC[NH+](C)CC3)C1)OCO2 ZINC000067588648 221261496 /nfs/dbraw/zinc/26/14/96/221261496.db2.gz RXOQFDWYCXGXMF-UHFFFAOYSA-N 2 1 361.486 2.026 50 0 FEAAMP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](CCCF)CC2)C1 ZINC000071750333 221362790 /nfs/dbraw/zinc/36/27/90/221362790.db2.gz SLMCSMNRDCIRII-KRWDZBQOSA-N 2 1 362.493 2.234 50 0 FEAAMP O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CC[NH+](CCCF)CC2)C1 ZINC000071750333 221362792 /nfs/dbraw/zinc/36/27/92/221362792.db2.gz SLMCSMNRDCIRII-KRWDZBQOSA-N 2 1 362.493 2.234 50 0 FEAAMP CCCc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000071751874 221363395 /nfs/dbraw/zinc/36/33/95/221363395.db2.gz CZTRTLTYYXIGQE-INIZCTEOSA-N 2 1 361.534 2.127 50 0 FEAAMP CCCc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000071751874 221363397 /nfs/dbraw/zinc/36/33/97/221363397.db2.gz CZTRTLTYYXIGQE-INIZCTEOSA-N 2 1 361.534 2.127 50 0 FEAAMP CCc1[nH+]ccn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000092062064 542841904 /nfs/dbraw/zinc/84/19/04/542841904.db2.gz QRVZGCPICIWXTE-PKOBYXMFSA-N 2 1 367.497 2.354 50 0 FEAAMP CCc1[nH+]ccn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000092062064 542841908 /nfs/dbraw/zinc/84/19/08/542841908.db2.gz QRVZGCPICIWXTE-PKOBYXMFSA-N 2 1 367.497 2.354 50 0 FEAAMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 ZINC000095381960 542965269 /nfs/dbraw/zinc/96/52/69/542965269.db2.gz NODBYBGXIJDILM-CTNGQTDRSA-N 2 1 363.521 2.345 50 0 FEAAMP Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CCCn1cc[nH+]c1C)C2 ZINC000095498705 542973915 /nfs/dbraw/zinc/97/39/15/542973915.db2.gz DULLJXQYDRIVQC-ZWKOTPCHSA-N 2 1 371.485 2.309 50 0 FEAAMP Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](CCCn1cc[nH+]c1C)C2 ZINC000095498705 542973918 /nfs/dbraw/zinc/97/39/18/542973918.db2.gz DULLJXQYDRIVQC-ZWKOTPCHSA-N 2 1 371.485 2.309 50 0 FEAAMP C[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@H+]3CCCCC34CC4)cc2)CC1 ZINC000095522148 542979769 /nfs/dbraw/zinc/97/97/69/542979769.db2.gz DYAMRYYYVCKIIN-HXUWFJFHSA-N 2 1 373.541 2.192 50 0 FEAAMP CN1CC[NH+](C[C@@H](O)COc2ccc(C[N@@H+]3CCCCC34CC4)cc2)CC1 ZINC000095522148 542979778 /nfs/dbraw/zinc/97/97/78/542979778.db2.gz DYAMRYYYVCKIIN-HXUWFJFHSA-N 2 1 373.541 2.192 50 0 FEAAMP CN1CC[NH+](C[C@@H](O)COc2ccc(C[N@H+]3CCCCC34CC4)cc2)CC1 ZINC000095522148 542979781 /nfs/dbraw/zinc/97/97/81/542979781.db2.gz DYAMRYYYVCKIIN-HXUWFJFHSA-N 2 1 373.541 2.192 50 0 FEAAMP C[NH+]1CCN(C[C@H](O)COc2ccc(C[N@H+]3CCCCC34CC4)cc2)CC1 ZINC000095522147 542979863 /nfs/dbraw/zinc/97/98/63/542979863.db2.gz DYAMRYYYVCKIIN-FQEVSTJZSA-N 2 1 373.541 2.192 50 0 FEAAMP CN1CC[NH+](C[C@H](O)COc2ccc(C[N@@H+]3CCCCC34CC4)cc2)CC1 ZINC000095522147 542979873 /nfs/dbraw/zinc/97/98/73/542979873.db2.gz DYAMRYYYVCKIIN-FQEVSTJZSA-N 2 1 373.541 2.192 50 0 FEAAMP CN1CC[NH+](C[C@H](O)COc2ccc(C[N@H+]3CCCCC34CC4)cc2)CC1 ZINC000095522147 542979876 /nfs/dbraw/zinc/97/98/76/542979876.db2.gz DYAMRYYYVCKIIN-FQEVSTJZSA-N 2 1 373.541 2.192 50 0 FEAAMP CC[NH+]1CCN(C(C)(C)CNC(=O)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000095524525 542980834 /nfs/dbraw/zinc/98/08/34/542980834.db2.gz NMKGVNDJTFUBMM-IBGZPJMESA-N 2 1 360.546 2.130 50 0 FEAAMP CC(C)[N@H+]1CCN(C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1CCO ZINC000104642277 222359511 /nfs/dbraw/zinc/35/95/11/222359511.db2.gz SJJHZUWTSJEPJS-JOCHJYFZSA-N 2 1 359.558 2.471 50 0 FEAAMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCc1ccc(Br)cc1 ZINC000170601588 546163054 /nfs/dbraw/zinc/16/30/54/546163054.db2.gz YAPJSHGYURRWSM-UHFFFAOYSA-N 2 1 368.319 2.088 50 0 FEAAMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCc1ccc(Br)cc1 ZINC000170601588 546163060 /nfs/dbraw/zinc/16/30/60/546163060.db2.gz YAPJSHGYURRWSM-UHFFFAOYSA-N 2 1 368.319 2.088 50 0 FEAAMP COCC[N@H+]1CC[C@@H](CN(C)C(=O)C2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000220032892 548697948 /nfs/dbraw/zinc/69/79/48/548697948.db2.gz RVWGYJWCXBTFSA-IBGZPJMESA-N 2 1 373.541 2.077 50 0 FEAAMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000408523885 558685617 /nfs/dbraw/zinc/68/56/17/558685617.db2.gz OHCBUBGAWJSEBW-HBGVWJBISA-N 2 1 364.493 2.123 50 0 FEAAMP Cc1c[nH+]ccc1N1CCCN(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000426544410 559737508 /nfs/dbraw/zinc/73/75/08/559737508.db2.gz PITRCWPKIHWPCB-SFHVURJKSA-N 2 1 359.518 2.342 50 0 FEAAMP O=C(NCCC[NH+]1CCOCC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000006303241 669958858 /nfs/dbraw/zinc/95/88/58/669958858.db2.gz WNGJEVVGVCCZOF-UHFFFAOYSA-N 2 1 351.535 2.117 50 0 FEAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](CCCn3ccnc3)CC2)C1)N1CCCC1 ZINC000071762084 541771440 /nfs/dbraw/zinc/77/14/40/541771440.db2.gz RKISGYYUCAZHHV-IBGZPJMESA-N 2 1 373.545 2.072 50 0 FEAAMP C[N@@H+](CCc1ccccc1)C1(C(=O)N2CC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000072149557 541789168 /nfs/dbraw/zinc/78/91/68/541789168.db2.gz PVPJKDMJWOMNCB-OAQYLSRUSA-N 2 1 363.505 2.258 50 0 FEAAMP O[C@]1(C[N@H+](CCc2c[nH]c3ccccc23)Cc2cccnc2)CC[NH2+]C1 ZINC000072423618 541810026 /nfs/dbraw/zinc/81/00/26/541810026.db2.gz OAQZFIIDBRLMSR-OAQYLSRUSA-N 2 1 350.466 2.332 50 0 FEAAMP O[C@]1(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2cccnc2)CC[NH2+]C1 ZINC000072423618 541810029 /nfs/dbraw/zinc/81/00/29/541810029.db2.gz OAQZFIIDBRLMSR-OAQYLSRUSA-N 2 1 350.466 2.332 50 0 FEAAMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc2onc(C)c21 ZINC000058377914 205273556 /nfs/dbraw/zinc/27/35/56/205273556.db2.gz CWGZFTQLCLSIEG-MRXNPFEDSA-N 2 1 373.501 2.328 50 0 FEAAMP Nc1nc(C2CC([NH3+])C2)cc(N2CCC[N@@H+](Cc3ccccc3F)CC2)n1 ZINC000219376094 206384351 /nfs/dbraw/zinc/38/43/51/206384351.db2.gz LRYTWQNOBFWYRA-UHFFFAOYSA-N 2 1 370.476 2.115 50 0 FEAAMP CCc1cc(N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000095497127 132211844 /nfs/dbraw/zinc/21/18/44/132211844.db2.gz YSFHPIKKKQSWES-IEBWSBKVSA-N 2 1 371.529 2.186 50 0 FEAAMP CCc1cc(N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000095497127 132211845 /nfs/dbraw/zinc/21/18/45/132211845.db2.gz YSFHPIKKKQSWES-IEBWSBKVSA-N 2 1 371.529 2.186 50 0 FEAAMP CN(C)c1cncc(N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)n1 ZINC000095527350 132214940 /nfs/dbraw/zinc/21/49/40/132214940.db2.gz LGIJVEYWDQZXBF-UHFFFAOYSA-N 2 1 357.506 2.075 50 0 FEAAMP Cc1[nH+]c(N2CCCC2)nc(N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000091595917 542815093 /nfs/dbraw/zinc/81/50/93/542815093.db2.gz DJJMBOGKCHMPHF-RTBURBONSA-N 2 1 373.545 2.224 50 0 FEAAMP Cc1noc(C)c1C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3C)n2C)CC1 ZINC000091737672 542822927 /nfs/dbraw/zinc/82/29/27/542822927.db2.gz RPABVAQYDNTWLX-UHFFFAOYSA-N 2 1 369.473 2.353 50 0 FEAAMP CCCc1ccc(C[N@@H+]2C[C@@H](CN3CCC[NH+](C)CC3)C[C@H](CO)C2)o1 ZINC000092003955 542837070 /nfs/dbraw/zinc/83/70/70/542837070.db2.gz GVERNIWPOZMPLU-MOPGFXCFSA-N 2 1 363.546 2.300 50 0 FEAAMP CCCc1ccc(C[NH+]2C[C@@H](CN3CCC[N@H+](C)CC3)C[C@H](CO)C2)o1 ZINC000092003955 542837072 /nfs/dbraw/zinc/83/70/72/542837072.db2.gz GVERNIWPOZMPLU-MOPGFXCFSA-N 2 1 363.546 2.300 50 0 FEAAMP CCCc1ccc(C[NH+]2C[C@@H](CN3CCC[N@@H+](C)CC3)C[C@H](CO)C2)o1 ZINC000092003955 542837075 /nfs/dbraw/zinc/83/70/75/542837075.db2.gz GVERNIWPOZMPLU-MOPGFXCFSA-N 2 1 363.546 2.300 50 0 FEAAMP Cc1nc(C2CC[NH2+]CC2)cc(N2CCN(c3[nH+]cccc3C)CC2)n1 ZINC000067789619 136137694 /nfs/dbraw/zinc/13/76/94/136137694.db2.gz IFACHXLUMVMAEV-UHFFFAOYSA-N 2 1 352.486 2.282 50 0 FEAAMP C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCCC2)C1 ZINC000095352833 542957518 /nfs/dbraw/zinc/95/75/18/542957518.db2.gz HYHHNAGEKXDGRV-QGZVFWFLSA-N 2 1 361.534 2.025 50 0 FEAAMP Cc1sc2ccccc2c1C[N@H+]1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000095363516 542960219 /nfs/dbraw/zinc/96/02/19/542960219.db2.gz NIYDIJGOFGIWNU-QZTJIDSGSA-N 2 1 373.566 2.497 50 0 FEAAMP COCC[N@H+](C)CC(=O)N1CCC2(C[C@H](c3ccccc3)C[NH+]2C)CC1 ZINC000095502547 542975394 /nfs/dbraw/zinc/97/53/94/542975394.db2.gz NTOLIRGZYJQKEG-IBGZPJMESA-N 2 1 359.514 2.045 50 0 FEAAMP COCC[N@@H+](C)CC(=O)N1CCC2(C[C@H](c3ccccc3)C[NH+]2C)CC1 ZINC000095502547 542975398 /nfs/dbraw/zinc/97/53/98/542975398.db2.gz NTOLIRGZYJQKEG-IBGZPJMESA-N 2 1 359.514 2.045 50 0 FEAAMP COCC[NH+](C)CC(=O)N1CCC2(C[C@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095502547 542975401 /nfs/dbraw/zinc/97/54/01/542975401.db2.gz NTOLIRGZYJQKEG-IBGZPJMESA-N 2 1 359.514 2.045 50 0 FEAAMP COCC[NH+](C)CC(=O)N1CCC2(C[C@H](c3ccccc3)C[N@H+]2C)CC1 ZINC000095502547 542975402 /nfs/dbraw/zinc/97/54/02/542975402.db2.gz NTOLIRGZYJQKEG-IBGZPJMESA-N 2 1 359.514 2.045 50 0 FEAAMP O=C(N1CC[N@H+](Cc2ccccc2)C[C@H](O)C1)C1([NH+]2CCCC2)CCCC1 ZINC000095505577 542976528 /nfs/dbraw/zinc/97/65/28/542976528.db2.gz ACIWZKLYWGZLOH-FQEVSTJZSA-N 2 1 371.525 2.100 50 0 FEAAMP O=C(N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1)C1([NH+]2CCCC2)CCCC1 ZINC000095505577 542976531 /nfs/dbraw/zinc/97/65/31/542976531.db2.gz ACIWZKLYWGZLOH-FQEVSTJZSA-N 2 1 371.525 2.100 50 0 FEAAMP CC[NH+](C)C[C@@H]1CCN(c2nccnc2N2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000095997133 542986246 /nfs/dbraw/zinc/98/62/46/542986246.db2.gz MTFBSGFRQJBXLS-HDICACEKSA-N 2 1 360.550 2.033 50 0 FEAAMP CC[NH+](C)C[C@H]1CCN(c2nccnc2N2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000095997133 542986250 /nfs/dbraw/zinc/98/62/50/542986250.db2.gz MTFBSGFRQJBXLS-HDICACEKSA-N 2 1 360.550 2.033 50 0 FEAAMP CC[NH+](C)C[C@H]1CCN(c2nccnc2N2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000095997133 542986253 /nfs/dbraw/zinc/98/62/53/542986253.db2.gz MTFBSGFRQJBXLS-HDICACEKSA-N 2 1 360.550 2.033 50 0 FEAAMP CSc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)cc1 ZINC000091595428 525993257 /nfs/dbraw/zinc/99/32/57/525993257.db2.gz YFRHDYZQUULYPS-RTBURBONSA-N 2 1 363.571 2.086 50 0 FEAAMP CSc1ccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)cc1 ZINC000091595428 525993263 /nfs/dbraw/zinc/99/32/63/525993263.db2.gz YFRHDYZQUULYPS-RTBURBONSA-N 2 1 363.571 2.086 50 0 FEAAMP CSc1ccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)cc1 ZINC000091595428 525993271 /nfs/dbraw/zinc/99/32/71/525993271.db2.gz YFRHDYZQUULYPS-RTBURBONSA-N 2 1 363.571 2.086 50 0 FEAAMP CSc1cccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)c1 ZINC000091586716 526095167 /nfs/dbraw/zinc/09/51/67/526095167.db2.gz VZPZGBVEIFUVJF-RTBURBONSA-N 2 1 363.571 2.086 50 0 FEAAMP CSc1cccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)c1 ZINC000091586716 526095176 /nfs/dbraw/zinc/09/51/76/526095176.db2.gz VZPZGBVEIFUVJF-RTBURBONSA-N 2 1 363.571 2.086 50 0 FEAAMP CSc1cccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)c1 ZINC000091586716 526095183 /nfs/dbraw/zinc/09/51/83/526095183.db2.gz VZPZGBVEIFUVJF-RTBURBONSA-N 2 1 363.571 2.086 50 0 FEAAMP Cc1nccn1-c1ccccc1CNc1cc([C@H]2C[C@@H](O)C2)nc(N)n1 ZINC000244794935 548894885 /nfs/dbraw/zinc/89/48/85/548894885.db2.gz QWPDVDAYTJKLIB-GASCZTMLSA-N 2 1 350.426 2.403 50 0 FEAAMP C[NH+]1CCC(C(=O)NCCC[N@H+]2CCCC[C@H]2CO)(c2ccccc2)CC1 ZINC000670472093 571047909 /nfs/dbraw/zinc/04/79/09/571047909.db2.gz BLCCPHSKOHUJGS-FQEVSTJZSA-N 2 1 373.541 2.003 50 0 FEAAMP COCC[N@H+]1CC[C@H](CNC(=O)c2ccc(-c3cc(N)cc[nH+]3)cc2)C1 ZINC000426370402 571216112 /nfs/dbraw/zinc/21/61/12/571216112.db2.gz YJPKLTDSUGKXAK-OAHLLOKOSA-N 2 1 354.454 2.029 50 0 FEAAMP OC[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CC12CC[NH2+]CC2 ZINC000169789467 672322336 /nfs/dbraw/zinc/32/23/36/672322336.db2.gz SMMYMIBRSGSALV-ZDUSSCGKSA-N 2 1 357.267 2.382 50 0 FEAAMP COc1cc(C[NH2+]Cc2cccnc2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000011668089 539532209 /nfs/dbraw/zinc/53/22/09/539532209.db2.gz BRZKDRFZKITVKQ-LJQANCHMSA-N 2 1 373.497 2.460 50 0 FEAAMP CCn1cc(C[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000012112080 539543953 /nfs/dbraw/zinc/54/39/53/539543953.db2.gz GQLFNXNREGHCKB-FQEVSTJZSA-N 2 1 372.513 2.418 50 0 FEAAMP CN1CC[NH+](CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000022935181 539703624 /nfs/dbraw/zinc/70/36/24/539703624.db2.gz VTKRZMJKEGYQDF-UHFFFAOYSA-N 2 1 358.530 2.040 50 0 FEAAMP CC(C)C[N@H+]1CCCN(c2nc(-c3ccncc3)nc3c2CC[NH2+]C3)CC1 ZINC000071767616 541771873 /nfs/dbraw/zinc/77/18/73/541771873.db2.gz VKFFXQUVDZVVAV-UHFFFAOYSA-N 2 1 366.513 2.352 50 0 FEAAMP CCc1cc(N2CCC[N@H+](CCC[NH+]3CCCC3)CC2)n2nccc2n1 ZINC000072419487 541808429 /nfs/dbraw/zinc/80/84/29/541808429.db2.gz LLAQFKPKRZLQCR-UHFFFAOYSA-N 2 1 356.518 2.290 50 0 FEAAMP CCc1cc(N2CCC[N@@H+](CCC[NH+]3CCCC3)CC2)n2nccc2n1 ZINC000072419487 541808432 /nfs/dbraw/zinc/80/84/32/541808432.db2.gz LLAQFKPKRZLQCR-UHFFFAOYSA-N 2 1 356.518 2.290 50 0 FEAAMP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+](C3CC[NH2+]CC3)CC2)OC1=O ZINC000072430999 541812680 /nfs/dbraw/zinc/81/26/80/541812680.db2.gz CLKQNIIYJRQZJG-UHFFFAOYSA-N 3 1 366.550 2.003 50 0 FEAAMP CC(C)C[N@H+](C)CCCN1CC2(CCN(C3CC[NH2+]CC3)CC2)OC1=O ZINC000072430999 541812682 /nfs/dbraw/zinc/81/26/82/541812682.db2.gz CLKQNIIYJRQZJG-UHFFFAOYSA-N 2 1 366.550 2.003 50 0 FEAAMP CC(C)C[N@@H+](C)CCCN1CC2(CCN(C3CC[NH2+]CC3)CC2)OC1=O ZINC000072430999 541812684 /nfs/dbraw/zinc/81/26/84/541812684.db2.gz CLKQNIIYJRQZJG-UHFFFAOYSA-N 2 1 366.550 2.003 50 0 FEAAMP [NH3+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3c[nH]nc3C3CCCCC3)CC[C@H]21 ZINC000072480395 541821647 /nfs/dbraw/zinc/82/16/47/541821647.db2.gz IVBZNWRVDJEVNY-FUHWJXTLSA-N 2 1 359.518 2.229 50 0 FEAAMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)cs1 ZINC000237398269 206102275 /nfs/dbraw/zinc/10/22/75/206102275.db2.gz KMNUBIXIZGGNLP-DYVFJYSZSA-N 2 1 350.532 2.249 50 0 FEAAMP Cc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC[N@@H+](Cc3ccncc3)CC2)n1 ZINC000219539716 206387578 /nfs/dbraw/zinc/38/75/78/206387578.db2.gz DZZABCWIBZABKD-IYARVYRRSA-N 2 1 352.486 2.097 50 0 FEAAMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077299486 542363577 /nfs/dbraw/zinc/36/35/77/542363577.db2.gz RSIPRXWYPKYVME-FQEVSTJZSA-N 2 1 373.541 2.122 50 0 FEAAMP Cc1ccccc1[C@H](C(=O)NCc1c(C)ncc2c1CC[NH2+]C2)[NH+](C)C ZINC000077534818 542393723 /nfs/dbraw/zinc/39/37/23/542393723.db2.gz WURXRWOVVISRMB-HXUWFJFHSA-N 2 1 352.482 2.263 50 0 FEAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](C3CCCCC3)CC2)C1)N1CCOCC1 ZINC000082099607 542683643 /nfs/dbraw/zinc/68/36/43/542683643.db2.gz ABOAAIOKNDXXNK-SFHVURJKSA-N 2 1 363.546 2.354 50 0 FEAAMP CCCCSc1nc(N2CCC([NH+]3CCC(O)CC3)CC2)cc(N)[nH+]1 ZINC000095366221 132208464 /nfs/dbraw/zinc/20/84/64/132208464.db2.gz WOTBAPXMYUIBRS-UHFFFAOYSA-N 2 1 365.547 2.377 50 0 FEAAMP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc(Cl)s3)C[C@@H]2CO)CC1 ZINC000091665220 542818784 /nfs/dbraw/zinc/81/87/84/542818784.db2.gz NEHFHORFIKUVJW-HUUCEWRRSA-N 2 1 357.951 2.079 50 0 FEAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc(Cl)s3)C[C@@H]2CO)CC1 ZINC000091665220 542818785 /nfs/dbraw/zinc/81/87/85/542818785.db2.gz NEHFHORFIKUVJW-HUUCEWRRSA-N 2 1 357.951 2.079 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@@H]2CO)CC1 ZINC000091665220 542818787 /nfs/dbraw/zinc/81/87/87/542818787.db2.gz NEHFHORFIKUVJW-HUUCEWRRSA-N 2 1 357.951 2.079 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@@H]2CO)CC1 ZINC000091665220 542818789 /nfs/dbraw/zinc/81/87/89/542818789.db2.gz NEHFHORFIKUVJW-HUUCEWRRSA-N 2 1 357.951 2.079 50 0 FEAAMP CSc1ccccc1C[N@H+]1C[C@H](CO)[C@H](CN2CCC[NH+](C)CC2)C1 ZINC000092028742 542838497 /nfs/dbraw/zinc/83/84/97/542838497.db2.gz NKFARTLYRITUBN-RTBURBONSA-N 2 1 363.571 2.086 50 0 FEAAMP CSc1ccccc1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000092028742 542838502 /nfs/dbraw/zinc/83/85/02/542838502.db2.gz NKFARTLYRITUBN-RTBURBONSA-N 2 1 363.571 2.086 50 0 FEAAMP CSc1ccccc1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000092028742 542838504 /nfs/dbraw/zinc/83/85/04/542838504.db2.gz NKFARTLYRITUBN-RTBURBONSA-N 2 1 363.571 2.086 50 0 FEAAMP CC(C)Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000095375586 542963365 /nfs/dbraw/zinc/96/33/65/542963365.db2.gz BFKRPEQFYNGPRW-FGZHOGPDSA-N 2 1 359.558 2.173 50 0 FEAAMP CC1(C)CCC[N@H+]1Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000095519424 542978675 /nfs/dbraw/zinc/97/86/75/542978675.db2.gz UUVPZPUJFPZSHG-LJQANCHMSA-N 2 1 362.514 2.257 50 0 FEAAMP Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@H]4CC[C@H](C[N@@H+]4C)C3)CC2)c1 ZINC000091486395 524554270 /nfs/dbraw/zinc/55/42/70/524554270.db2.gz VKEPGZQPJAUUFQ-TZIWHRDSSA-N 2 1 370.541 2.060 50 0 FEAAMP CCCn1ccnc1CN1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000230183552 548759334 /nfs/dbraw/zinc/75/93/34/548759334.db2.gz STSCYWXWVVIESN-OAQYLSRUSA-N 2 1 373.545 2.202 50 0 FEAAMP CCc1nnc(NC(=O)CC[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)s1 ZINC000244900003 548899232 /nfs/dbraw/zinc/89/92/32/548899232.db2.gz ZUFFASCJRRXXQM-UHFFFAOYSA-N 2 1 374.514 2.345 50 0 FEAAMP Cc1[nH+]cn(CC(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)c1C ZINC000299760838 553611680 /nfs/dbraw/zinc/61/16/80/553611680.db2.gz XTWCKENCKQZUHP-UHFFFAOYSA-N 2 1 352.482 2.202 50 0 FEAAMP Cc1[nH+]cn(CC(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)c1C ZINC000299760838 553611682 /nfs/dbraw/zinc/61/16/82/553611682.db2.gz XTWCKENCKQZUHP-UHFFFAOYSA-N 2 1 352.482 2.202 50 0 FEAAMP Cc1noc(C)c1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420948 570906616 /nfs/dbraw/zinc/90/66/16/570906616.db2.gz NLZPSNJHBKDCDN-SFHVURJKSA-N 2 1 356.470 2.279 50 0 FEAAMP Cc1noc(C)c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420948 570906617 /nfs/dbraw/zinc/90/66/17/570906617.db2.gz NLZPSNJHBKDCDN-SFHVURJKSA-N 2 1 356.470 2.279 50 0 FEAAMP COc1cc(C[N@@H+](C)C(C)C)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012297433 670001578 /nfs/dbraw/zinc/00/15/78/670001578.db2.gz LOLXHKLADBELDJ-KRWDZBQOSA-N 2 1 368.543 2.324 50 0 FEAAMP Cc1nc(CCNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000012714483 670003159 /nfs/dbraw/zinc/00/31/59/670003159.db2.gz JVBLGGXJPLRXHO-INIZCTEOSA-N 2 1 364.559 2.225 50 0 FEAAMP Cc1nc(CCNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000012714483 670003165 /nfs/dbraw/zinc/00/31/65/670003165.db2.gz JVBLGGXJPLRXHO-INIZCTEOSA-N 2 1 364.559 2.225 50 0 FEAAMP CC(C)[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000012716013 539571108 /nfs/dbraw/zinc/57/11/08/539571108.db2.gz CINKTDOZVHODLX-IBGZPJMESA-N 2 1 364.578 2.172 50 0 FEAAMP CC(C)[NH+]1CCC(CC(=O)N[C@H]2CCCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000012716013 539571113 /nfs/dbraw/zinc/57/11/13/539571113.db2.gz CINKTDOZVHODLX-IBGZPJMESA-N 2 1 364.578 2.172 50 0 FEAAMP C(=C/c1ccccc1)\C[NH+]1CCN(Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072161123 541792214 /nfs/dbraw/zinc/79/22/14/541792214.db2.gz FAIAERUNNUEKOP-XBXARRHUSA-N 2 1 351.498 2.207 50 0 FEAAMP c1cn(CC[N@H+]2CC[C@@H](c3ccccc3)C2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072435177 541813404 /nfs/dbraw/zinc/81/34/04/541813404.db2.gz XDZRQTPQKARINO-GOSISDBHSA-N 2 1 362.481 2.339 50 0 FEAAMP O=C(NCC[NH2+]C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21)c1ccccc1Cl ZINC000063846913 205296546 /nfs/dbraw/zinc/29/65/46/205296546.db2.gz NWMXYLCPVYXQTM-IEBWSBKVSA-N 2 1 365.905 2.039 50 0 FEAAMP Cc1ccc(NCCCn2cnc3sc4c(c3c2=O)CC[NH2+]C4)[nH+]c1 ZINC000065429655 205349702 /nfs/dbraw/zinc/34/97/02/205349702.db2.gz GXPNTLDULOBOML-UHFFFAOYSA-N 2 1 355.467 2.309 50 0 FEAAMP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000072957132 541896746 /nfs/dbraw/zinc/89/67/46/541896746.db2.gz UUEVMRZMYBTPJJ-FQEVSTJZSA-N 2 1 359.514 2.255 50 0 FEAAMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000072957132 541896750 /nfs/dbraw/zinc/89/67/50/541896750.db2.gz UUEVMRZMYBTPJJ-FQEVSTJZSA-N 2 1 359.514 2.255 50 0 FEAAMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)cs1 ZINC000237398236 206102052 /nfs/dbraw/zinc/10/20/52/206102052.db2.gz KMNUBIXIZGGNLP-CXAGYDPISA-N 2 1 350.532 2.249 50 0 FEAAMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237606921 206105963 /nfs/dbraw/zinc/10/59/63/206105963.db2.gz ODSKVVCBQSVGLX-WSTZPKSXSA-N 2 1 358.530 2.094 50 0 FEAAMP Cc1ccccc1[C@@H](C(=O)NCc1c(C)ncc2c1CC[NH2+]C2)[NH+](C)C ZINC000077534814 542393901 /nfs/dbraw/zinc/39/39/01/542393901.db2.gz WURXRWOVVISRMB-FQEVSTJZSA-N 2 1 352.482 2.263 50 0 FEAAMP C[NH+](C)C[C@@H]1C[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]1CO ZINC000092062194 132205974 /nfs/dbraw/zinc/20/59/74/132205974.db2.gz LGCVVOUYGJGIBY-HZPDHXFCSA-N 2 1 351.922 2.411 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](Cc3cccc(C)n3)CC2)n1C ZINC000091781695 542826190 /nfs/dbraw/zinc/82/61/90/542826190.db2.gz IHFTVQISRFVUDT-UHFFFAOYSA-N 2 1 365.485 2.451 50 0 FEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cscn1)C2 ZINC000095381841 542965122 /nfs/dbraw/zinc/96/51/22/542965122.db2.gz IAEQJKLLCPFGFG-QRQLOZEOSA-N 2 1 365.543 2.483 50 0 FEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1cscn1)C2 ZINC000095381841 542965126 /nfs/dbraw/zinc/96/51/26/542965126.db2.gz IAEQJKLLCPFGFG-QRQLOZEOSA-N 2 1 365.543 2.483 50 0 FEAAMP COCC[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095500293 542973933 /nfs/dbraw/zinc/97/39/33/542973933.db2.gz AORJXSZNEWEWES-LJQANCHMSA-N 2 1 350.503 2.381 50 0 FEAAMP C[NH+]1CCN([C@H]2C[N@H+](Cc3ccc(-c4ccccc4F)cc3)C[C@@H]2O)CC1 ZINC000097474926 543012349 /nfs/dbraw/zinc/01/23/49/543012349.db2.gz PZLZCDMMPNUFNM-VXKWHMMOSA-N 2 1 369.484 2.285 50 0 FEAAMP C[NH+]1CCN([C@H]2C[N@@H+](Cc3ccc(-c4ccccc4F)cc3)C[C@@H]2O)CC1 ZINC000097474926 543012353 /nfs/dbraw/zinc/01/23/53/543012353.db2.gz PZLZCDMMPNUFNM-VXKWHMMOSA-N 2 1 369.484 2.285 50 0 FEAAMP Cc1ccc2nc(CCCNC(=O)[C@H](C)C[NH+]3CCOCC3)[nH]c2c1C ZINC000244794909 548895292 /nfs/dbraw/zinc/89/52/92/548895292.db2.gz QWBTWPILNJXDHS-OAHLLOKOSA-N 2 1 358.486 2.197 50 0 FEAAMP CCn1c(C[NH+]2CCC3(CNc4ccccc43)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252552487 549673879 /nfs/dbraw/zinc/67/38/79/549673879.db2.gz UTCWCJRJIQKSJU-WKILWMFISA-N 2 1 366.513 2.462 50 0 FEAAMP Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)c2cccnc12 ZINC000426738964 559741212 /nfs/dbraw/zinc/74/12/12/559741212.db2.gz BBVSQSCKVQVXQS-IBGZPJMESA-N 2 1 352.482 2.376 50 0 FEAAMP Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)c2cccnc12 ZINC000426738964 559741213 /nfs/dbraw/zinc/74/12/13/559741213.db2.gz BBVSQSCKVQVXQS-IBGZPJMESA-N 2 1 352.482 2.376 50 0 FEAAMP COc1cc(C(=O)N2CCC[C@@H](Cn3cc[nH+]c3C)C2)ccc1OCC[NH3+] ZINC000426425478 571223917 /nfs/dbraw/zinc/22/39/17/571223917.db2.gz RLIUFRVXWOGLTL-INIZCTEOSA-N 2 1 372.469 2.090 50 0 FEAAMP NC(=[NH2+])NC(=[NH2+])Nc1c(Br)cc(F)cc1Br ZINC000001044708 539338369 /nfs/dbraw/zinc/33/83/69/539338369.db2.gz VUINHVIEKBVXMI-UHFFFAOYSA-N 2 1 352.993 2.180 50 0 FEAAMP C[NH+]1CCC(Nc2ccc(C(=O)NCC[C@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000015069324 539610959 /nfs/dbraw/zinc/61/09/59/539610959.db2.gz SNTKAFWIJIMSED-GOSISDBHSA-N 2 1 359.518 2.192 50 0 FEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](C/C=C/c3ccccc3OC)CC[C@H]21 ZINC000072440056 541815359 /nfs/dbraw/zinc/81/53/59/541815359.db2.gz URZJXARDAIIOBR-VUTZTEFLSA-N 2 1 357.498 2.241 50 0 FEAAMP CCn1c(=O)[nH]nc1C1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000067588001 205376061 /nfs/dbraw/zinc/37/60/61/205376061.db2.gz AHOPFZNTCLVEQX-UHFFFAOYSA-N 2 1 369.513 2.435 50 0 FEAAMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000072957135 541896806 /nfs/dbraw/zinc/89/68/06/541896806.db2.gz UUEVMRZMYBTPJJ-HXUWFJFHSA-N 2 1 359.514 2.255 50 0 FEAAMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000072957135 541896812 /nfs/dbraw/zinc/89/68/12/541896812.db2.gz UUEVMRZMYBTPJJ-HXUWFJFHSA-N 2 1 359.514 2.255 50 0 FEAAMP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@@H+](CCSc1ccccc1)C2 ZINC000219231673 206381700 /nfs/dbraw/zinc/38/17/00/206381700.db2.gz ISXLHVUTCUDNPM-LJQANCHMSA-N 2 1 360.527 2.476 50 0 FEAAMP CC(C)[N@H+]1CCO[C@@H](CC(=O)N2CCC[NH+](Cc3cccs3)CC2)C1 ZINC000077408137 542379658 /nfs/dbraw/zinc/37/96/58/542379658.db2.gz ROUVPUIDYBKNLW-KRWDZBQOSA-N 2 1 365.543 2.282 50 0 FEAAMP CC(C)[NH+]1CCO[C@@H](CC(=O)N2CCC[N@H+](Cc3cccs3)CC2)C1 ZINC000077408137 542379659 /nfs/dbraw/zinc/37/96/59/542379659.db2.gz ROUVPUIDYBKNLW-KRWDZBQOSA-N 2 1 365.543 2.282 50 0 FEAAMP CC(C)[NH+]1CCO[C@@H](CC(=O)N2CCC[N@@H+](Cc3cccs3)CC2)C1 ZINC000077408137 542379662 /nfs/dbraw/zinc/37/96/62/542379662.db2.gz ROUVPUIDYBKNLW-KRWDZBQOSA-N 2 1 365.543 2.282 50 0 FEAAMP Cc1c(F)cccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 ZINC000091585890 542813557 /nfs/dbraw/zinc/81/35/57/542813557.db2.gz GTNABNSOPIPFAV-CTNGQTDRSA-N 2 1 363.521 2.345 50 0 FEAAMP COc1cc(C[N@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)ccc1F ZINC000092065501 542842355 /nfs/dbraw/zinc/84/23/55/542842355.db2.gz RJDUJIGCIGJBEZ-FQEVSTJZSA-N 2 1 366.477 2.130 50 0 FEAAMP Cc1cc(N2CCCN(C(=O)[C@@H]3Cc4ccccc4C[N@H+]3C)CC2)cc[nH+]1 ZINC000095368477 542961812 /nfs/dbraw/zinc/96/18/12/542961812.db2.gz RWKRCKSTTUIZMH-NRFANRHFSA-N 2 1 364.493 2.485 50 0 FEAAMP Cc1cc(N2CCCN(C(=O)[C@@H]3Cc4ccccc4C[N@@H+]3C)CC2)cc[nH+]1 ZINC000095368477 542961816 /nfs/dbraw/zinc/96/18/16/542961816.db2.gz RWKRCKSTTUIZMH-NRFANRHFSA-N 2 1 364.493 2.485 50 0 FEAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2ccccc2OCc2ccccc2)C1 ZINC000096142206 542993835 /nfs/dbraw/zinc/99/38/35/542993835.db2.gz LWOLIRXGYYKRDR-DENIHFKCSA-N 2 1 365.477 2.033 50 0 FEAAMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1cc2n(n1)CCC[NH+](CC(C)C)C2 ZINC000082157674 521599614 /nfs/dbraw/zinc/59/96/14/521599614.db2.gz DXWFHIACRZVYHN-IBGZPJMESA-N 2 1 361.534 2.235 50 0 FEAAMP CC[NH+]1CCCC[C@H]1C(=O)NCc1cc2n(n1)CCC[N@H+](CC(C)C)C2 ZINC000082157674 521599617 /nfs/dbraw/zinc/59/96/17/521599617.db2.gz DXWFHIACRZVYHN-IBGZPJMESA-N 2 1 361.534 2.235 50 0 FEAAMP CC[NH+]1CCCC[C@H]1C(=O)NCc1cc2n(n1)CCC[N@@H+](CC(C)C)C2 ZINC000082157674 521599620 /nfs/dbraw/zinc/59/96/20/521599620.db2.gz DXWFHIACRZVYHN-IBGZPJMESA-N 2 1 361.534 2.235 50 0 FEAAMP CC[NH+]1CCN(CCOc2ccc(C[N@H+]3CCC[C@](C)(O)C3)cc2)CC1 ZINC000216394377 521683762 /nfs/dbraw/zinc/68/37/62/521683762.db2.gz VXDKDHXKMJSCCR-NRFANRHFSA-N 2 1 361.530 2.050 50 0 FEAAMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000237618786 525015150 /nfs/dbraw/zinc/01/51/50/525015150.db2.gz GEGXJXFHOJBJDR-AXVVYFOYSA-N 2 1 359.514 2.430 50 0 FEAAMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000237618786 525015163 /nfs/dbraw/zinc/01/51/63/525015163.db2.gz GEGXJXFHOJBJDR-AXVVYFOYSA-N 2 1 359.514 2.430 50 0 FEAAMP Cc1[nH+]c(N)ccc1-c1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000426501734 559736004 /nfs/dbraw/zinc/73/60/04/559736004.db2.gz HJLNIEJRKMFEAM-GOSISDBHSA-N 2 1 368.481 2.216 50 0 FEAAMP Cc1[nH+]c(N)ccc1-c1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000426501734 559736005 /nfs/dbraw/zinc/73/60/05/559736005.db2.gz HJLNIEJRKMFEAM-GOSISDBHSA-N 2 1 368.481 2.216 50 0 FEAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+](C3CSCCSC3)C2)CC1 ZINC000012475953 670002432 /nfs/dbraw/zinc/00/24/32/670002432.db2.gz XFDIKYQRJYLCCW-INIZCTEOSA-N 2 1 371.616 2.101 50 0 FEAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+](C3CSCCSC3)C2)CC1 ZINC000012475953 670002437 /nfs/dbraw/zinc/00/24/37/670002437.db2.gz XFDIKYQRJYLCCW-INIZCTEOSA-N 2 1 371.616 2.101 50 0 FEAAMP COc1ccccc1[C@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)[NH+](C)C ZINC000888102077 688546450 /nfs/dbraw/zinc/54/64/50/688546450.db2.gz YEVKQBFWYZJQSD-HNNXBMFYSA-N 2 1 359.495 2.435 50 0 FEAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CCCn3cccn3)CC2)C1)N1CCCC1 ZINC000071499122 541767417 /nfs/dbraw/zinc/76/74/17/541767417.db2.gz MLVFUKUCDJEGGA-IBGZPJMESA-N 2 1 373.545 2.072 50 0 FEAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](CCCn3cccn3)CC2)C1)N1CCCC1 ZINC000071499122 541767420 /nfs/dbraw/zinc/76/74/20/541767420.db2.gz MLVFUKUCDJEGGA-IBGZPJMESA-N 2 1 373.545 2.072 50 0 FEAAMP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC000071767945 541772092 /nfs/dbraw/zinc/77/20/92/541772092.db2.gz HYKLNOOWWAOSEM-HXUWFJFHSA-N 2 1 373.541 2.434 50 0 FEAAMP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC000071767945 541772094 /nfs/dbraw/zinc/77/20/94/541772094.db2.gz HYKLNOOWWAOSEM-HXUWFJFHSA-N 2 1 373.541 2.434 50 0 FEAAMP CC(=O)N[C@H]1CCC[N@H+](Cc2cc(CN3CC[NH+](C)CC3)c(C)cc2C)C1 ZINC000216062914 206354914 /nfs/dbraw/zinc/35/49/14/206354914.db2.gz WDMVDXOCIZUCLI-QFIPXVFZSA-N 2 1 372.557 2.151 50 0 FEAAMP CCn1c(CN(C)C)nnc1C1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000077488087 542388299 /nfs/dbraw/zinc/38/82/99/542388299.db2.gz ZIGCNPGXUDWCGE-UHFFFAOYSA-N 2 1 362.566 2.412 50 0 FEAAMP COc1ccc([C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095372379 542962862 /nfs/dbraw/zinc/96/28/62/542962862.db2.gz GZPRFGHSGMUZNJ-KSEOMHKRSA-N 2 1 371.525 2.424 50 0 FEAAMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1 ZINC000095366653 542960875 /nfs/dbraw/zinc/96/08/75/542960875.db2.gz JRXJBDWLTHIXEQ-LJQANCHMSA-N 2 1 363.477 2.188 50 0 FEAAMP Cn1nc([C@@H]2CCC[N@@H+](C[C@H]3CC[C@@H]([NH3+])CC3)C2)n(-c2ccccc2)c1=O ZINC000244678741 527557045 /nfs/dbraw/zinc/55/70/45/527557045.db2.gz IJBMCZWOQINHIX-KURKYZTESA-N 2 1 369.513 2.268 50 0 FEAAMP CN1CCC[N@@H+](C)CC12CC[NH+](C[C@H]1CC(=O)N(c3ccccc3)C1)CC2 ZINC000299791968 553614970 /nfs/dbraw/zinc/61/49/70/553614970.db2.gz GJBYKZVNEWXYBQ-LJQANCHMSA-N 2 1 370.541 2.141 50 0 FEAAMP O=C(CC1CC[NH+](Cc2ccccc2)CC1)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000299802206 553616471 /nfs/dbraw/zinc/61/64/71/553616471.db2.gz YCOKYPLEZAFHFP-OAQYLSRUSA-N 2 1 373.541 2.252 50 0 FEAAMP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000426380750 571217251 /nfs/dbraw/zinc/21/72/51/571217251.db2.gz VQSUYYWKKOSVJC-FQEVSTJZSA-N 2 1 367.497 2.076 50 0 FEAAMP O=C(c1ccccc1)N1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000585091200 571320275 /nfs/dbraw/zinc/32/02/75/571320275.db2.gz FKCUQBKONJZYQQ-OAQYLSRUSA-N 2 1 371.525 2.382 50 0 FEAAMP COCC[N@@H+]1C[C@H](CO)C2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000169789540 672322693 /nfs/dbraw/zinc/32/26/93/672322693.db2.gz UBTFXEHOEKMLHP-MRXNPFEDSA-N 2 1 354.441 2.118 50 0 FEAAMP COCC[N@H+]1C[C@H](CO)C2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000169789540 672322695 /nfs/dbraw/zinc/32/26/95/672322695.db2.gz UBTFXEHOEKMLHP-MRXNPFEDSA-N 2 1 354.441 2.118 50 0 FEAAMP C[NH+](C)CC1(O)CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)CC1 ZINC000299798689 223102996 /nfs/dbraw/zinc/10/29/96/223102996.db2.gz UHGCKBMUXUAVBV-ZCNNSNEGSA-N 2 1 371.525 2.127 50 0 FEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCc1ccc(O)cc1)CC[NH+](C)CC2 ZINC000072407143 541805748 /nfs/dbraw/zinc/80/57/48/541805748.db2.gz FRMDHYGMVHBDTG-IBGZPJMESA-N 2 1 359.514 2.247 50 0 FEAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000237415215 206102458 /nfs/dbraw/zinc/10/24/58/206102458.db2.gz JSHOLPYHSWVLQB-XLSPSMHOSA-N 2 1 359.514 2.495 50 0 FEAAMP [NH3+]CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)cc1 ZINC000215526691 206348114 /nfs/dbraw/zinc/34/81/14/206348114.db2.gz IZDFRLOIUXLUQO-PKOBYXMFSA-N 2 1 370.522 2.267 50 0 FEAAMP C[N@H+]1CCN(Cc2ccccc2OCCC[NH+]2CCCCC2)C[C@@H]1CO ZINC000216111092 206356279 /nfs/dbraw/zinc/35/62/79/206356279.db2.gz VCEDCNDCCWPROD-HXUWFJFHSA-N 2 1 361.530 2.050 50 0 FEAAMP C[N@H+](CC(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000218857684 206375723 /nfs/dbraw/zinc/37/57/23/206375723.db2.gz NTNNVJIQBHPWFM-HXUWFJFHSA-N 2 1 359.514 2.222 50 0 FEAAMP C[N@@H+](CC(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000218857684 206375728 /nfs/dbraw/zinc/37/57/28/206375728.db2.gz NTNNVJIQBHPWFM-HXUWFJFHSA-N 2 1 359.514 2.222 50 0 FEAAMP C[NH+](C)C[C@@H]1C[N@H+](C2CCN(c3ccccc3Cl)CC2)C[C@@H]1CO ZINC000091459915 132201849 /nfs/dbraw/zinc/20/18/49/132201849.db2.gz XGWRVRYVUAHVLY-HZPDHXFCSA-N 2 1 351.922 2.411 50 0 FEAAMP CC[N@H+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000253417900 132293870 /nfs/dbraw/zinc/29/38/70/132293870.db2.gz LDNJUKBMDLYHBR-IBGZPJMESA-N 2 1 358.530 2.141 50 0 FEAAMP [NH3+]CCc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c1 ZINC000092078412 542843904 /nfs/dbraw/zinc/84/39/04/542843904.db2.gz IRQOXNCLKJSPFJ-WOJBJXKFSA-N 2 1 364.493 2.319 50 0 FEAAMP O[C@@H](COc1ccccc1C[N@@H+]1CCc2n[nH]cc2C1)C[NH+]1CCCCC1 ZINC000095523762 542980081 /nfs/dbraw/zinc/98/00/81/542980081.db2.gz IVRXASZYCVKWPJ-LJQANCHMSA-N 2 1 370.497 2.194 50 0 FEAAMP O[C@@H](COc1ccccc1C[N@H+]1CCc2n[nH]cc2C1)C[NH+]1CCCCC1 ZINC000095523762 542980084 /nfs/dbraw/zinc/98/00/84/542980084.db2.gz IVRXASZYCVKWPJ-LJQANCHMSA-N 2 1 370.497 2.194 50 0 FEAAMP O[C@H](COc1ccccc1C[N@@H+]1CCc2n[nH]cc2C1)C[NH+]1CCCCC1 ZINC000095523763 542980102 /nfs/dbraw/zinc/98/01/02/542980102.db2.gz IVRXASZYCVKWPJ-IBGZPJMESA-N 2 1 370.497 2.194 50 0 FEAAMP O[C@H](COc1ccccc1C[N@H+]1CCc2n[nH]cc2C1)C[NH+]1CCCCC1 ZINC000095523763 542980106 /nfs/dbraw/zinc/98/01/06/542980106.db2.gz IVRXASZYCVKWPJ-IBGZPJMESA-N 2 1 370.497 2.194 50 0 FEAAMP CC[NH+]1CCN(C(C)(C)CNC(=O)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000095524524 542980814 /nfs/dbraw/zinc/98/08/14/542980814.db2.gz NMKGVNDJTFUBMM-LJQANCHMSA-N 2 1 360.546 2.130 50 0 FEAAMP Cc1cccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)n1 ZINC000019954130 524401458 /nfs/dbraw/zinc/40/14/58/524401458.db2.gz ZRKWMSDHGHBICQ-NRFANRHFSA-N 2 1 360.546 2.131 50 0 FEAAMP Cc1cccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)n1 ZINC000019954130 524401463 /nfs/dbraw/zinc/40/14/63/524401463.db2.gz ZRKWMSDHGHBICQ-NRFANRHFSA-N 2 1 360.546 2.131 50 0 FEAAMP CC(C)C[N@H+]1CCCn2nc(CNC(=O)[C@@H]3CCCCC[NH+]3C)cc2C1 ZINC000082138326 571165116 /nfs/dbraw/zinc/16/51/16/571165116.db2.gz GHTLOGRBAWMGIP-IBGZPJMESA-N 2 1 361.534 2.235 50 0 FEAAMP CC(C)C[NH+]1CCCn2nc(CNC(=O)[C@@H]3CCCCC[N@@H+]3C)cc2C1 ZINC000082138326 571165120 /nfs/dbraw/zinc/16/51/20/571165120.db2.gz GHTLOGRBAWMGIP-IBGZPJMESA-N 2 1 361.534 2.235 50 0 FEAAMP CC(C)C[NH+]1CCCn2nc(CNC(=O)[C@@H]3CCCCC[N@H+]3C)cc2C1 ZINC000082138326 571165121 /nfs/dbraw/zinc/16/51/21/571165121.db2.gz GHTLOGRBAWMGIP-IBGZPJMESA-N 2 1 361.534 2.235 50 0 FEAAMP C[N@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000670444889 571350456 /nfs/dbraw/zinc/35/04/56/571350456.db2.gz ZZKYADXTHKVIOL-NRFANRHFSA-N 2 1 372.557 2.357 50 0 FEAAMP C[NH+](CCO)CC1c2ccccc2C(C[N@@H+](C)CCO)c2ccccc21 ZINC000000877750 539334827 /nfs/dbraw/zinc/33/48/27/539334827.db2.gz IMYHMODKXOOJOA-UHFFFAOYSA-N 2 1 354.494 2.112 50 0 FEAAMP CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(Cn4cc[nH+]c4C(C)C)n[nH]3)C2)C1 ZINC000012302974 539553083 /nfs/dbraw/zinc/55/30/83/539553083.db2.gz SEOVKYYLIPOYTH-FQEVSTJZSA-N 2 1 370.501 2.336 50 0 FEAAMP CC[N@H+]1CC[C@]2(CCN(C(=O)c3cc(Cn4cc[nH+]c4C(C)C)n[nH]3)C2)C1 ZINC000012302974 539553086 /nfs/dbraw/zinc/55/30/86/539553086.db2.gz SEOVKYYLIPOYTH-FQEVSTJZSA-N 2 1 370.501 2.336 50 0 FEAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000057127530 540771084 /nfs/dbraw/zinc/77/10/84/540771084.db2.gz BMVARYDEUYPGAR-HOTGVXAUSA-N 2 1 370.501 2.353 50 0 FEAAMP O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](CCCF)CC2)C1 ZINC000071750332 541770564 /nfs/dbraw/zinc/77/05/64/541770564.db2.gz SLMCSMNRDCIRII-QGZVFWFLSA-N 2 1 362.493 2.234 50 0 FEAAMP O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CC[NH+](CCCF)CC2)C1 ZINC000071750332 541770568 /nfs/dbraw/zinc/77/05/68/541770568.db2.gz SLMCSMNRDCIRII-QGZVFWFLSA-N 2 1 362.493 2.234 50 0 FEAAMP Cc1ccccc1OC1CCN(C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)CC1 ZINC000072421526 541809018 /nfs/dbraw/zinc/80/90/18/541809018.db2.gz ZCYNJAHGZLDKIZ-IBGZPJMESA-N 2 1 371.525 2.439 50 0 FEAAMP CC(C)C[N@@H+](C)CCCN1CC2(CCN([C@@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072423372 541810216 /nfs/dbraw/zinc/81/02/16/541810216.db2.gz QBFODUIGRMHFFU-GOSISDBHSA-N 2 1 366.550 2.003 50 0 FEAAMP C[NH+](C)Cc1cccc([C@H]2N[C@](CO)(c3ccccc3)[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000065429694 205350248 /nfs/dbraw/zinc/35/02/48/205350248.db2.gz TXVFCUPUABZPNE-KAOXLYBCSA-N 2 1 365.521 2.458 50 0 FEAAMP Cc1c2cc(C)ccc2[nH]c1C[N@H+]1C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C1 ZINC000091876938 542829837 /nfs/dbraw/zinc/82/98/37/542829837.db2.gz YVTULQHZBZKIRT-RTBURBONSA-N 2 1 372.557 2.318 50 0 FEAAMP COCC[N@H+](C)CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[NH+](C)C2 ZINC000095353202 542957706 /nfs/dbraw/zinc/95/77/06/542957706.db2.gz GXGICASDMZIBKU-FQEVSTJZSA-N 2 1 373.541 2.293 50 0 FEAAMP COCC[N@@H+](C)CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[NH+](C)C2 ZINC000095353202 542957708 /nfs/dbraw/zinc/95/77/08/542957708.db2.gz GXGICASDMZIBKU-FQEVSTJZSA-N 2 1 373.541 2.293 50 0 FEAAMP COCC[NH+](C)CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000095353202 542957709 /nfs/dbraw/zinc/95/77/09/542957709.db2.gz GXGICASDMZIBKU-FQEVSTJZSA-N 2 1 373.541 2.293 50 0 FEAAMP COCC[NH+](C)CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000095353202 542957711 /nfs/dbraw/zinc/95/77/11/542957711.db2.gz GXGICASDMZIBKU-FQEVSTJZSA-N 2 1 373.541 2.293 50 0 FEAAMP CC[C@H]1C[N@H+](C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC[C@@H]1[NH3+] ZINC000097165811 543006004 /nfs/dbraw/zinc/00/60/04/543006004.db2.gz RDLFOMPUFCHVNJ-LPHOPBHVSA-N 2 1 365.543 2.207 50 0 FEAAMP Cc1ncccc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420807 543289450 /nfs/dbraw/zinc/28/94/50/543289450.db2.gz RBFVDFJEMGLWOU-HXUWFJFHSA-N 2 1 352.482 2.377 50 0 FEAAMP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccc(OC)c(F)c1 ZINC000020954006 520328998 /nfs/dbraw/zinc/32/89/98/520328998.db2.gz DVYZXQPIYOPXPH-UHFFFAOYSA-N 2 1 351.466 2.257 50 0 FEAAMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccc(OC)c(F)c1 ZINC000020954006 520329005 /nfs/dbraw/zinc/32/90/05/520329005.db2.gz DVYZXQPIYOPXPH-UHFFFAOYSA-N 2 1 351.466 2.257 50 0 FEAAMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237518262 548831461 /nfs/dbraw/zinc/83/14/61/548831461.db2.gz OHCBUBGAWJSEBW-CZAAIQMYSA-N 2 1 364.493 2.123 50 0 FEAAMP CCCCc1cc(=O)[nH]c(-c2ccc(C[N@@H+]3CCO[C@H](CC[NH3+])C3)cc2)n1 ZINC000023159070 539708560 /nfs/dbraw/zinc/70/85/60/539708560.db2.gz JMESWPVNIHBDIU-LJQANCHMSA-N 2 1 370.497 2.329 50 0 FEAAMP CCCCc1cc(=O)[nH]c(-c2ccc(C[N@H+]3CCO[C@H](CC[NH3+])C3)cc2)n1 ZINC000023159070 539708564 /nfs/dbraw/zinc/70/85/64/539708564.db2.gz JMESWPVNIHBDIU-LJQANCHMSA-N 2 1 370.497 2.329 50 0 FEAAMP CCOc1ccc(C[N@H+]2CCCN(C)C3(CC[NH+](C)CC3)C2)cc1CO ZINC000067872140 541523558 /nfs/dbraw/zinc/52/35/58/541523558.db2.gz RGQGAQCLTOEYDS-UHFFFAOYSA-N 2 1 361.530 2.180 50 0 FEAAMP CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000071751873 541770630 /nfs/dbraw/zinc/77/06/30/541770630.db2.gz CZTRTLTYYXIGQE-MRXNPFEDSA-N 2 1 361.534 2.127 50 0 FEAAMP CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000071751873 541770633 /nfs/dbraw/zinc/77/06/33/541770633.db2.gz CZTRTLTYYXIGQE-MRXNPFEDSA-N 2 1 361.534 2.127 50 0 FEAAMP C[NH2+]CCNC(=O)C1([N@@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072163308 541793554 /nfs/dbraw/zinc/79/35/54/541793554.db2.gz KSXSXHYLRGWMSZ-UHFFFAOYSA-N 2 1 351.494 2.034 50 0 FEAAMP COc1ccc(/C=C/C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)cc1 ZINC000072425281 541810738 /nfs/dbraw/zinc/81/07/38/541810738.db2.gz IUNPODYOCYWDGA-AMBXGICCSA-N 2 1 357.498 2.370 50 0 FEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1nccn1CC)CC[NH+](C)CC2 ZINC000072479955 541821291 /nfs/dbraw/zinc/82/12/91/541821291.db2.gz FSNDPNLQCCORIL-QGZVFWFLSA-N 2 1 361.534 2.058 50 0 FEAAMP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000004261694 204129543 /nfs/dbraw/zinc/12/95/43/204129543.db2.gz KMDXQYUKMCGYRY-IBGZPJMESA-N 2 1 359.514 2.126 50 0 FEAAMP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000004261694 204129547 /nfs/dbraw/zinc/12/95/47/204129547.db2.gz KMDXQYUKMCGYRY-IBGZPJMESA-N 2 1 359.514 2.126 50 0 FEAAMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000299739039 205116804 /nfs/dbraw/zinc/11/68/04/205116804.db2.gz JSHOLPYHSWVLQB-MIALQEHNSA-N 2 1 359.514 2.495 50 0 FEAAMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000299739039 205116807 /nfs/dbraw/zinc/11/68/07/205116807.db2.gz JSHOLPYHSWVLQB-MIALQEHNSA-N 2 1 359.514 2.495 50 0 FEAAMP O[C@@]1(C[NH2+]CCc2cnn(-c3ccccc3)c2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063871728 205295221 /nfs/dbraw/zinc/29/52/21/205295221.db2.gz JXTPEGPNBGMUKV-NHCUHLMSSA-N 2 1 354.498 2.384 50 0 FEAAMP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000067691045 205384052 /nfs/dbraw/zinc/38/40/52/205384052.db2.gz UWMNDCNSFNHVHH-FQEVSTJZSA-N 2 1 373.541 2.168 50 0 FEAAMP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000067691045 205384054 /nfs/dbraw/zinc/38/40/54/205384054.db2.gz UWMNDCNSFNHVHH-FQEVSTJZSA-N 2 1 373.541 2.168 50 0 FEAAMP Cc1cc(C)c2[nH]c(C[N@@H+]3CCC[C@](O)(C[NH+](C)C)CC3)cc(=O)c2c1 ZINC000091872069 542830044 /nfs/dbraw/zinc/83/00/44/542830044.db2.gz PIVAAERTXBHXJW-OAQYLSRUSA-N 2 1 357.498 2.424 50 0 FEAAMP c1coc(-c2nc3c(c(N4CC[N@@H+]5CCCC[C@@H]5C4)n2)CC[NH2+]CC3)c1 ZINC000072421396 136146091 /nfs/dbraw/zinc/14/60/91/136146091.db2.gz KZEWPLXBMLYMPY-OAHLLOKOSA-N 2 1 353.470 2.099 50 0 FEAAMP COc1cccc([C@H]2CN(c3cc[nH+]c(N)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095375933 542963847 /nfs/dbraw/zinc/96/38/47/542963847.db2.gz WTOPHQURBKDFRF-BHIYHBOVSA-N 2 1 351.454 2.134 50 0 FEAAMP [NH3+]CCc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)c1 ZINC000095525773 542981318 /nfs/dbraw/zinc/98/13/18/542981318.db2.gz WDRJJUCVVFPWPU-PKOBYXMFSA-N 2 1 370.522 2.267 50 0 FEAAMP CCCC[N@H+]1CCn2nc(CNC(=O)C[NH+]3CCCC[C@@H]3CC)cc2C1 ZINC000299760986 553611867 /nfs/dbraw/zinc/61/18/67/553611867.db2.gz QJJNLYHNRIDFTG-SFHVURJKSA-N 2 1 361.534 2.380 50 0 FEAAMP CCCC[NH+]1CCn2nc(CNC(=O)C[N@@H+]3CCCC[C@@H]3CC)cc2C1 ZINC000299760986 553611870 /nfs/dbraw/zinc/61/18/70/553611870.db2.gz QJJNLYHNRIDFTG-SFHVURJKSA-N 2 1 361.534 2.380 50 0 FEAAMP CCCC[NH+]1CCn2nc(CNC(=O)C[N@H+]3CCCC[C@@H]3CC)cc2C1 ZINC000299760986 553611872 /nfs/dbraw/zinc/61/18/72/553611872.db2.gz QJJNLYHNRIDFTG-SFHVURJKSA-N 2 1 361.534 2.380 50 0 FEAAMP Cc1ccsc1CN(CC[NH+](C)C)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426535133 559737061 /nfs/dbraw/zinc/73/70/61/559737061.db2.gz KYDKXVVKXAYYPD-AWEZNQCLSA-N 2 1 361.515 2.501 50 0 FEAAMP Cc1ncsc1C[NH+]1CCC2(CC[C@@H](C[NH+]3CCOCC3)O2)CC1 ZINC000257189610 672898969 /nfs/dbraw/zinc/89/89/69/672898969.db2.gz JEPDEAIBRWSUBY-INIZCTEOSA-N 2 1 351.516 2.297 50 0 FEAAMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccncc2)C[C@H](C)O1 ZINC000067452541 541466130 /nfs/dbraw/zinc/46/61/30/541466130.db2.gz LMUDIUAZJNXEKH-CALCHBBNSA-N 2 1 357.502 2.461 50 0 FEAAMP CC(C)(CO)NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071404018 541766481 /nfs/dbraw/zinc/76/64/81/541766481.db2.gz CKMWKWSJJXTGAU-IBGZPJMESA-N 2 1 373.541 2.250 50 0 FEAAMP CC(C)(CO)NC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071404018 541766486 /nfs/dbraw/zinc/76/64/86/541766486.db2.gz CKMWKWSJJXTGAU-IBGZPJMESA-N 2 1 373.541 2.250 50 0 FEAAMP C[N@H+]1CC2(C[C@H]1C(=O)NCC1(COc3ccccc3)CC1)CC[NH2+]CC2 ZINC000072409181 541806693 /nfs/dbraw/zinc/80/66/93/541806693.db2.gz IODGWXYLQJZVEP-SFHVURJKSA-N 2 1 357.498 2.036 50 0 FEAAMP Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2)CC3 ZINC000072412077 541807064 /nfs/dbraw/zinc/80/70/64/541807064.db2.gz WOVDNLUHZWDYMR-HXUWFJFHSA-N 2 1 366.509 2.435 50 0 FEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N1CCc3[nH]nc(CC)c3C1)CC[NH+](C)CC2 ZINC000072411522 541807158 /nfs/dbraw/zinc/80/71/58/541807158.db2.gz IZJIOMSPNBAISL-LJQANCHMSA-N 2 1 373.545 2.053 50 0 FEAAMP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N1CCc3n[nH]c(CC)c3C1)CC[NH+](C)CC2 ZINC000072411522 541807161 /nfs/dbraw/zinc/80/71/61/541807161.db2.gz IZJIOMSPNBAISL-LJQANCHMSA-N 2 1 373.545 2.053 50 0 FEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N1CCc3n[nH]c(CC)c3C1)CC[NH+](C)CC2 ZINC000072411522 541807166 /nfs/dbraw/zinc/80/71/66/541807166.db2.gz IZJIOMSPNBAISL-LJQANCHMSA-N 2 1 373.545 2.053 50 0 FEAAMP Cc1[nH+]ccn1Cc1ccccc1-n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072423753 541809795 /nfs/dbraw/zinc/80/97/95/541809795.db2.gz ADFLPUXWLXRCTD-UHFFFAOYSA-N 2 1 359.437 2.392 50 0 FEAAMP CC(C)c1csc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)n1 ZINC000072426885 541810828 /nfs/dbraw/zinc/81/08/28/541810828.db2.gz SZRXLAPCEKTGKN-GOEBONIOSA-N 2 1 350.532 2.428 50 0 FEAAMP CC(C)c1csc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)n1 ZINC000072426885 541810829 /nfs/dbraw/zinc/81/08/29/541810829.db2.gz SZRXLAPCEKTGKN-GOEBONIOSA-N 2 1 350.532 2.428 50 0 FEAAMP C[N@H+]1CCC[C@H]1CCNc1nc(-c2ccncc2)nc2c1CC[NH2+]CC2 ZINC000072453445 541816017 /nfs/dbraw/zinc/81/60/17/541816017.db2.gz YVPCQUUWSKVOKJ-INIZCTEOSA-N 2 1 352.486 2.123 50 0 FEAAMP Cc1noc2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC(=O)N4CCC[NH3+])C3)cc12 ZINC000072474445 541819768 /nfs/dbraw/zinc/81/97/68/541819768.db2.gz QSJJCOLZQMKLBF-FUHWJXTLSA-N 2 1 356.470 2.298 50 0 FEAAMP c1nn(CC[NH+]2CCOCC2)cc1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000096166237 209130576 /nfs/dbraw/zinc/13/05/76/209130576.db2.gz SDRRYHMRABSQLB-UHFFFAOYSA-N 2 1 370.497 2.357 50 0 FEAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cc(F)ccc3F)C2)CC1 ZINC000012056093 207335385 /nfs/dbraw/zinc/33/53/85/207335385.db2.gz YWINVRSXVHZZMY-CQSZACIVSA-N 2 1 351.441 2.387 50 0 FEAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cc(F)ccc3F)C2)CC1 ZINC000012056093 207335387 /nfs/dbraw/zinc/33/53/87/207335387.db2.gz YWINVRSXVHZZMY-CQSZACIVSA-N 2 1 351.441 2.387 50 0 FEAAMP OC[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1C[NH+]1CCCCC1 ZINC000091737266 542822723 /nfs/dbraw/zinc/82/27/23/542822723.db2.gz LJYMQQUNLOUIOL-WOJBJXKFSA-N 2 1 354.498 2.399 50 0 FEAAMP [NH3+][C@H]1CC[C@@H](C[N@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)CC1 ZINC000244608587 527413168 /nfs/dbraw/zinc/41/31/68/527413168.db2.gz FFGPSNQEUOIWAH-WOVMCDHWSA-N 2 1 359.518 2.023 50 0 FEAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1 ZINC000219990084 548697283 /nfs/dbraw/zinc/69/72/83/548697283.db2.gz OYXQYLXEPCRTNS-UHFFFAOYSA-N 2 1 364.453 2.129 50 0 FEAAMP Cc1[nH+]ccn1CCC[N@H+]1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1 ZINC000219990084 548697286 /nfs/dbraw/zinc/69/72/86/548697286.db2.gz OYXQYLXEPCRTNS-UHFFFAOYSA-N 2 1 364.453 2.129 50 0 FEAAMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc(N2CC[NH+](C)CC2)c1 ZINC000252489629 549669144 /nfs/dbraw/zinc/66/91/44/549669144.db2.gz JVDNKWISBBCWSS-KRWDZBQOSA-N 2 1 359.518 2.210 50 0 FEAAMP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000067691043 541499722 /nfs/dbraw/zinc/49/97/22/541499722.db2.gz UWMNDCNSFNHVHH-HXUWFJFHSA-N 2 1 373.541 2.168 50 0 FEAAMP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000067691043 541499725 /nfs/dbraw/zinc/49/97/25/541499725.db2.gz UWMNDCNSFNHVHH-HXUWFJFHSA-N 2 1 373.541 2.168 50 0 FEAAMP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCOCC1 ZINC000072310194 541798961 /nfs/dbraw/zinc/79/89/61/541798961.db2.gz RBPVJSZNIJRQLA-GOSISDBHSA-N 2 1 363.477 2.017 50 0 FEAAMP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCOCC1 ZINC000072310194 541798965 /nfs/dbraw/zinc/79/89/65/541798965.db2.gz RBPVJSZNIJRQLA-GOSISDBHSA-N 2 1 363.477 2.017 50 0 FEAAMP C[NH+]1CCC(C(=O)N2CC[NH+](CCCOc3ccc(F)cc3)CC2)CC1 ZINC000097099553 209169784 /nfs/dbraw/zinc/16/97/84/209169784.db2.gz OCJZSCOGEPVCAU-UHFFFAOYSA-N 2 1 363.477 2.081 50 0 FEAAMP C[NH+](C)CCn1c(=O)c(C[N@@H+](C)CCn2cccn2)cc2ccc(F)cc21 ZINC000011782579 207322443 /nfs/dbraw/zinc/32/24/43/207322443.db2.gz LZAXRIFGFZNCED-UHFFFAOYSA-N 2 1 371.460 2.031 50 0 FEAAMP CN(C)c1cncc(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)n1 ZINC000095357826 132207523 /nfs/dbraw/zinc/20/75/23/132207523.db2.gz YTIFQWZPKDTSOH-MRXNPFEDSA-N 2 1 357.506 2.075 50 0 FEAAMP O=C(CCC[NH+]1CCCCCC1)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095525595 209075648 /nfs/dbraw/zinc/07/56/48/209075648.db2.gz BXEQIQJAUDMOMG-NRFANRHFSA-N 2 1 373.541 2.348 50 0 FEAAMP c1sc(-c2cn(CC[NH+]3CCOCC3)nn2)cc1C[NH+]1CCCCC1 ZINC000091645406 526630951 /nfs/dbraw/zinc/63/09/51/526630951.db2.gz NWXYNIAIKXADNR-UHFFFAOYSA-N 2 1 361.515 2.325 50 0 FEAAMP COCCC[N@H+](Cc1cc2ccccc2n(C)c1=O)C1CC[NH+](C)CC1 ZINC000222848192 548713561 /nfs/dbraw/zinc/71/35/61/548713561.db2.gz VCTMLSRHANEPRS-UHFFFAOYSA-N 2 1 357.498 2.471 50 0 FEAAMP COCCC[N@@H+](Cc1cc2ccccc2n(C)c1=O)C1CC[NH+](C)CC1 ZINC000222848192 548713562 /nfs/dbraw/zinc/71/35/62/548713562.db2.gz VCTMLSRHANEPRS-UHFFFAOYSA-N 2 1 357.498 2.471 50 0 FEAAMP Cc1ccc(NC(=O)CC[NH+]2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)cc1F ZINC000244719195 548894184 /nfs/dbraw/zinc/89/41/84/548894184.db2.gz LYQGMRRYKOZJAV-GOSISDBHSA-N 2 1 363.477 2.384 50 0 FEAAMP Cc1ccc(NC(=O)CC[NH+]2CCC([N@H+]3CCC[C@@H](O)C3)CC2)cc1F ZINC000244719195 548894189 /nfs/dbraw/zinc/89/41/89/548894189.db2.gz LYQGMRRYKOZJAV-GOSISDBHSA-N 2 1 363.477 2.384 50 0 FEAAMP CCn1c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+][C@H](C)C3)C2)nc2ccccc21 ZINC000253603286 549698532 /nfs/dbraw/zinc/69/85/32/549698532.db2.gz JPOIRTQITQUKTJ-SJORKVTESA-N 2 1 369.513 2.089 50 0 FEAAMP COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000020256903 539673170 /nfs/dbraw/zinc/67/31/70/539673170.db2.gz XTJNADRCIKHDHR-HXUWFJFHSA-N 2 1 372.557 2.376 50 0 FEAAMP CC(C)[NH+]1CCC([NH2+]C[C@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000067675480 541497741 /nfs/dbraw/zinc/49/77/41/541497741.db2.gz NDNULVQUNZPLCQ-JOCHJYFZSA-N 2 1 373.541 2.045 50 0 FEAAMP c1c(C[NH+]2CCC(c3nnc4n3CCCCC4)CC2)nn2c1C[NH2+]CCC2 ZINC000072154372 541790913 /nfs/dbraw/zinc/79/09/13/541790913.db2.gz OAEDEESKXKOJCN-UHFFFAOYSA-N 2 1 369.517 2.074 50 0 FEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(Cc1cnn(C)c1)C1CC1)CC[NH+](C)CC2 ZINC000072475111 541819644 /nfs/dbraw/zinc/81/96/44/541819644.db2.gz MTEGMFIBCUYGFI-IBGZPJMESA-N 2 1 373.545 2.107 50 0 FEAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000077319444 542366860 /nfs/dbraw/zinc/36/68/60/542366860.db2.gz NEQUJJKCXXDNII-UHFFFAOYSA-N 2 1 373.526 2.395 50 0 FEAAMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000299739040 208324212 /nfs/dbraw/zinc/32/42/12/208324212.db2.gz JSHOLPYHSWVLQB-TVKQPGBESA-N 2 1 359.514 2.495 50 0 FEAAMP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc(F)c(Cl)c3)C[C@@H]2CO)CC1 ZINC000091906755 209003541 /nfs/dbraw/zinc/00/35/41/209003541.db2.gz OVZNFSZVTMAGJF-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc(F)c(Cl)c3)C[C@@H]2CO)CC1 ZINC000091906755 209003543 /nfs/dbraw/zinc/00/35/43/209003543.db2.gz OVZNFSZVTMAGJF-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)C[C@@H]2CO)CC1 ZINC000091906755 209003545 /nfs/dbraw/zinc/00/35/45/209003545.db2.gz OVZNFSZVTMAGJF-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@@H]2CO)CC1 ZINC000091906755 209003547 /nfs/dbraw/zinc/00/35/47/209003547.db2.gz OVZNFSZVTMAGJF-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP Cc1[nH+]ccn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095389110 209045676 /nfs/dbraw/zinc/04/56/76/209045676.db2.gz LAWYRVIRMYYDID-RBUKOAKNSA-N 2 1 353.470 2.100 50 0 FEAAMP Cc1[nH+]ccn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000095389110 209045678 /nfs/dbraw/zinc/04/56/78/209045678.db2.gz LAWYRVIRMYYDID-RBUKOAKNSA-N 2 1 353.470 2.100 50 0 FEAAMP CNc1nc(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)ncc1F ZINC000095525290 132214740 /nfs/dbraw/zinc/21/47/40/132214740.db2.gz GTVLFBUEOJDPEA-CQSZACIVSA-N 2 1 361.469 2.190 50 0 FEAAMP CCC[NH+]1CCC(N2CC[N@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)CC1 ZINC000020536373 519844428 /nfs/dbraw/zinc/84/44/28/519844428.db2.gz AFYSFDQFHZXMRE-NRFANRHFSA-N 2 1 360.546 2.133 50 0 FEAAMP CCC[NH+]1CCC(N2CC[N@@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)CC1 ZINC000020536373 519844430 /nfs/dbraw/zinc/84/44/30/519844430.db2.gz AFYSFDQFHZXMRE-NRFANRHFSA-N 2 1 360.546 2.133 50 0 FEAAMP CCC[N@H+]1CCCn2nc(CNC(=O)[C@@H]([NH2+]C)c3ccccc3)cc2C1 ZINC000082147943 519854673 /nfs/dbraw/zinc/85/46/73/519854673.db2.gz OTLZOPNCSBXLCA-IBGZPJMESA-N 2 1 355.486 2.076 50 0 FEAAMP CN1C[C@H](C[N@@H+](C)Cc2ccccc2OCC[NH+]2CCCCC2)CC1=O ZINC000215760230 548673244 /nfs/dbraw/zinc/67/32/44/548673244.db2.gz UBBWMYGNWBAEBK-SFHVURJKSA-N 2 1 359.514 2.461 50 0 FEAAMP CCn1c(C[NH+]2CCC(C(=O)N3CC[NH2+][C@H](C)C3)CC2)nc2ccccc21 ZINC000253602782 549698568 /nfs/dbraw/zinc/69/85/68/549698568.db2.gz FLJRIOZYAMRJFL-MRXNPFEDSA-N 2 1 369.513 2.089 50 0 FEAAMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000408523887 558685811 /nfs/dbraw/zinc/68/58/11/558685811.db2.gz OHCBUBGAWJSEBW-MAODMQOUSA-N 2 1 364.493 2.123 50 0 FEAAMP CC(C)(C)C[N@H+]1CCN(C2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1CCO ZINC000020206287 539673232 /nfs/dbraw/zinc/67/32/32/539673232.db2.gz SRVNFTTXZDQRHU-NRFANRHFSA-N 2 1 374.573 2.461 50 0 FEAAMP CCCCc1cc(=O)[nH]c(-c2ccc(C[N@@H+]3CCO[C@@H](CC[NH3+])C3)cc2)n1 ZINC000023159066 539708235 /nfs/dbraw/zinc/70/82/35/539708235.db2.gz JMESWPVNIHBDIU-IBGZPJMESA-N 2 1 370.497 2.329 50 0 FEAAMP CCCCc1cc(=O)[nH]c(-c2ccc(C[N@H+]3CCO[C@@H](CC[NH3+])C3)cc2)n1 ZINC000023159066 539708237 /nfs/dbraw/zinc/70/82/37/539708237.db2.gz JMESWPVNIHBDIU-IBGZPJMESA-N 2 1 370.497 2.329 50 0 FEAAMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC23CC[NH2+]CC3)C[C@@H](C)O1 ZINC000237571967 209350136 /nfs/dbraw/zinc/35/01/36/209350136.db2.gz IOHIAPROXXXMJA-HLIPFELVSA-N 2 1 371.525 2.302 50 0 FEAAMP O=C(NCCF)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071576033 541768405 /nfs/dbraw/zinc/76/84/05/541768405.db2.gz OGAVQRXRHULCSQ-LJQANCHMSA-N 2 1 373.516 2.416 50 0 FEAAMP c1c(CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)nn2c1C[NH2+]CCC2 ZINC000072164134 541793572 /nfs/dbraw/zinc/79/35/72/541793572.db2.gz DYWJLOGEJUWCIJ-UHFFFAOYSA-N 2 1 365.525 2.052 50 0 FEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](CCOc3ccc(C)c(C)c3)CC[C@H]21 ZINC000072429612 541811770 /nfs/dbraw/zinc/81/17/70/541811770.db2.gz OYSHVRRFQPNWHM-AZUAARDMSA-N 2 1 359.514 2.215 50 0 FEAAMP CCC[NH+]1CCC(N2CC[N@H+](Cc3cccc(C)n3)[C@H](CCO)C2)CC1 ZINC000039519251 208211150 /nfs/dbraw/zinc/21/11/50/208211150.db2.gz AFYSFDQFHZXMRE-OAQYLSRUSA-N 2 1 360.546 2.133 50 0 FEAAMP CCC[NH+]1CCC(N2CC[N@@H+](Cc3cccc(C)n3)[C@H](CCO)C2)CC1 ZINC000039519251 208211153 /nfs/dbraw/zinc/21/11/53/208211153.db2.gz AFYSFDQFHZXMRE-OAQYLSRUSA-N 2 1 360.546 2.133 50 0 FEAAMP CCc1nc(C)sc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH2+]C)C1 ZINC000072427789 208858331 /nfs/dbraw/zinc/85/83/31/208858331.db2.gz ITLSZCHJQJSBTA-GOEBONIOSA-N 2 1 350.532 2.046 50 0 FEAAMP Cc1cc(N2CCN(C(=O)C3([NH+]4CCOCC4)CCCCC3)CC2)cc[nH+]1 ZINC000219963156 132275536 /nfs/dbraw/zinc/27/55/36/132275536.db2.gz AFCPQWBHDXJWEE-UHFFFAOYSA-N 2 1 372.513 2.074 50 0 FEAAMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000262171319 549794884 /nfs/dbraw/zinc/79/48/84/549794884.db2.gz ATFJMLAJHMURQG-IVGGMSORSA-N 2 1 363.546 2.240 50 0 FEAAMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000262171319 549794887 /nfs/dbraw/zinc/79/48/87/549794887.db2.gz ATFJMLAJHMURQG-IVGGMSORSA-N 2 1 363.546 2.240 50 0 FEAAMP CN1CCC[N@@H+](C)CC12CC[NH+](C[C@@H]1CC(=O)N(c3ccccc3)C1)CC2 ZINC000299791954 553615242 /nfs/dbraw/zinc/61/52/42/553615242.db2.gz GJBYKZVNEWXYBQ-IBGZPJMESA-N 2 1 370.541 2.141 50 0 FEAAMP Cc1noc(C)c1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420950 570906715 /nfs/dbraw/zinc/90/67/15/570906715.db2.gz NLZPSNJHBKDCDN-GOSISDBHSA-N 2 1 356.470 2.279 50 0 FEAAMP Cc1noc(C)c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420950 570906718 /nfs/dbraw/zinc/90/67/18/570906718.db2.gz NLZPSNJHBKDCDN-GOSISDBHSA-N 2 1 356.470 2.279 50 0 FEAAMP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1(C[NH+]2CCOCC2)CCCCC1 ZINC000065506871 541241590 /nfs/dbraw/zinc/24/15/90/541241590.db2.gz HSJAIKKKHVHPQB-SFHVURJKSA-N 2 1 351.535 2.402 50 0 FEAAMP C[N@H+]1CCCC[C@H]1CCC(=O)NC1(C[NH+]2CCOCC2)CCCCC1 ZINC000065506871 541241595 /nfs/dbraw/zinc/24/15/95/541241595.db2.gz HSJAIKKKHVHPQB-SFHVURJKSA-N 2 1 351.535 2.402 50 0 FEAAMP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000071750435 541770656 /nfs/dbraw/zinc/77/06/56/541770656.db2.gz CRUQVLVJLKITCX-HXUWFJFHSA-N 2 1 373.541 2.434 50 0 FEAAMP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000071750435 541770659 /nfs/dbraw/zinc/77/06/59/541770659.db2.gz CRUQVLVJLKITCX-HXUWFJFHSA-N 2 1 373.541 2.434 50 0 FEAAMP Cc1ccccc1CN(CCO)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071764640 541772129 /nfs/dbraw/zinc/77/21/29/541772129.db2.gz DEAMFHFNVNICQK-FQEVSTJZSA-N 2 1 373.541 2.122 50 0 FEAAMP Cc1ccccc1CN(CCO)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071764640 541772130 /nfs/dbraw/zinc/77/21/30/541772130.db2.gz DEAMFHFNVNICQK-FQEVSTJZSA-N 2 1 373.541 2.122 50 0 FEAAMP CCc1[nH+]ccn1CC(=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072137224 541785771 /nfs/dbraw/zinc/78/57/71/541785771.db2.gz FHFMABPNBHIKQC-LJQANCHMSA-N 2 1 352.482 2.147 50 0 FEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)nc3)CC[C@H]21 ZINC000072480044 541821539 /nfs/dbraw/zinc/82/15/39/541821539.db2.gz FMEMYNDQAPXWGM-LSDHHAIUSA-N 2 1 370.419 2.133 50 0 FEAAMP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+]([C@@H]3CCOC3)CC2)OC1=O ZINC000072479936 541821745 /nfs/dbraw/zinc/82/17/45/541821745.db2.gz SYQNKRCRONAZMR-QGZVFWFLSA-N 2 1 353.507 2.040 50 0 FEAAMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCC(=O)NC(C)(C)C ZINC000006882432 207175021 /nfs/dbraw/zinc/17/50/21/207175021.db2.gz VTCAHWITDKXDIC-UHFFFAOYSA-N 2 1 351.491 2.030 50 0 FEAAMP C[N@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1)Cc1cnccn1 ZINC000012431125 207374049 /nfs/dbraw/zinc/37/40/49/207374049.db2.gz RVHXDLDKRDCDFN-HXUWFJFHSA-N 2 1 370.497 2.334 50 0 FEAAMP C[N@@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1)Cc1cnccn1 ZINC000012431125 207374056 /nfs/dbraw/zinc/37/40/56/207374056.db2.gz RVHXDLDKRDCDFN-HXUWFJFHSA-N 2 1 370.497 2.334 50 0 FEAAMP Cc1cc(N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)nc(N)[nH+]1 ZINC000091707509 132203402 /nfs/dbraw/zinc/20/34/02/132203402.db2.gz WWJUUZDHDOFTQX-UHFFFAOYSA-N 2 1 355.471 2.453 50 0 FEAAMP CNc1nc(N2CCN(c3cc[nH+]cc3C)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000299773922 132298963 /nfs/dbraw/zinc/29/89/63/132298963.db2.gz GVWJKZJCUWDGKY-OAHLLOKOSA-N 2 1 354.458 2.052 50 0 FEAAMP C[NH+]1CCC(C)(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000426369166 263567376 /nfs/dbraw/zinc/56/73/76/263567376.db2.gz JGMYCPGMAIFFSO-LJQANCHMSA-N 2 1 359.514 2.126 50 0 FEAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(O)cc3)C[C@@H]2CCO)CC1 ZINC000020537963 519670256 /nfs/dbraw/zinc/67/02/56/519670256.db2.gz PGTCHVIKPJBJMY-FQEVSTJZSA-N 2 1 361.530 2.134 50 0 FEAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(O)cc3)C[C@@H]2CCO)CC1 ZINC000020537963 519670257 /nfs/dbraw/zinc/67/02/57/519670257.db2.gz PGTCHVIKPJBJMY-FQEVSTJZSA-N 2 1 361.530 2.134 50 0 FEAAMP CCc1cc(N2CCC([NH2+][C@H]3CC[C@@H]([NH3+])CC3)CC2)nc(N2CCCC2)n1 ZINC000244748587 523791988 /nfs/dbraw/zinc/79/19/88/523791988.db2.gz OKHXMFHRSJERJF-MAEOIBBWSA-N 2 1 372.561 2.468 50 0 FEAAMP COc1ccc(/C=C/C[N@@H+]2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)cc1 ZINC000221290308 548704410 /nfs/dbraw/zinc/70/44/10/548704410.db2.gz GSNCJAVSWPGALY-KOXUSJRISA-N 2 1 370.497 2.406 50 0 FEAAMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)c1 ZINC000333009903 554558517 /nfs/dbraw/zinc/55/85/17/554558517.db2.gz FONPBPVCAHWTPT-SFHVURJKSA-N 2 1 357.502 2.239 50 0 FEAAMP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)CC2)c1 ZINC000333009903 554558519 /nfs/dbraw/zinc/55/85/19/554558519.db2.gz FONPBPVCAHWTPT-SFHVURJKSA-N 2 1 357.502 2.239 50 0 FEAAMP Cn1c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)cc2cc(F)ccc21 ZINC000072481306 541822287 /nfs/dbraw/zinc/82/22/87/541822287.db2.gz MRQQREZPKFJKOT-IFXJQAMLSA-N 2 1 358.461 2.089 50 0 FEAAMP Cc1cccc([C@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)[NH+](C)C)c1 ZINC000095364208 209029713 /nfs/dbraw/zinc/02/97/13/209029713.db2.gz JIUIMNLXCVQEHN-HXUWFJFHSA-N 2 1 359.514 2.169 50 0 FEAAMP CN(C)c1cc[nH+]c(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)n1 ZINC000095498516 132212016 /nfs/dbraw/zinc/21/20/16/132212016.db2.gz FIBFMMDTNSWBSN-INIZCTEOSA-N 2 1 357.506 2.075 50 0 FEAAMP OC[C@H]1C[N@H+](C/C=C/c2ccc(F)cc2)C[C@H]1C[NH+]1CCC(CO)CC1 ZINC000091724669 542821625 /nfs/dbraw/zinc/82/16/25/542821625.db2.gz MNQFQLDCSVBNRA-RHZFVVMASA-N 2 1 362.489 2.084 50 0 FEAAMP OC[C@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)C[C@H]1C[NH+]1CCC(CO)CC1 ZINC000091724669 542821629 /nfs/dbraw/zinc/82/16/29/542821629.db2.gz MNQFQLDCSVBNRA-RHZFVVMASA-N 2 1 362.489 2.084 50 0 FEAAMP Cc1cc(C)c2[nH]c(C[NH2+]CCC[N@@H+]3CCC[C@H](CO)C3)cc(=O)c2c1 ZINC000091745533 542822773 /nfs/dbraw/zinc/82/27/73/542822773.db2.gz MIOZOFNQMGJPHO-KRWDZBQOSA-N 2 1 357.498 2.329 50 0 FEAAMP Cc1cc(C)c2[nH]c(C[NH2+]CCC[N@H+]3CCC[C@H](CO)C3)cc(=O)c2c1 ZINC000091745533 542822776 /nfs/dbraw/zinc/82/27/76/542822776.db2.gz MIOZOFNQMGJPHO-KRWDZBQOSA-N 2 1 357.498 2.329 50 0 FEAAMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H](CC)[NH+](C)C)CC2)cs1 ZINC000124527904 543827963 /nfs/dbraw/zinc/82/79/63/543827963.db2.gz OZLQZJHEPAGALM-MRXNPFEDSA-N 2 1 352.548 2.374 50 0 FEAAMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CC23CC[NH2+]CC3)C[C@H](C)O1 ZINC000237775283 525017278 /nfs/dbraw/zinc/01/72/78/525017278.db2.gz IOHIAPROXXXMJA-FUHIMQAGSA-N 2 1 371.525 2.302 50 0 FEAAMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CC23CC[NH2+]CC3)C[C@H](C)O1 ZINC000237775283 525017288 /nfs/dbraw/zinc/01/72/88/525017288.db2.gz IOHIAPROXXXMJA-FUHIMQAGSA-N 2 1 371.525 2.302 50 0 FEAAMP C[C@@H]1C[C@@H](N(C)C(=O)C[NH2+]C[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000269265439 525245283 /nfs/dbraw/zinc/24/52/83/525245283.db2.gz OTMPFKBIDHNECQ-YZGWKJHDSA-N 2 1 359.514 2.267 50 0 FEAAMP COCC[N@H+]1CCC[C@H](CNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000670464133 571357827 /nfs/dbraw/zinc/35/78/27/571357827.db2.gz OKTKFVSLNUSCRZ-GOSISDBHSA-N 2 1 351.535 2.260 50 0 FEAAMP OC[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CC12CC[NH2+]CC2 ZINC000169789468 672322399 /nfs/dbraw/zinc/32/23/99/672322399.db2.gz SMMYMIBRSGSALV-CYBMUJFWSA-N 2 1 357.267 2.382 50 0 FEAAMP Oc1cccc(CN2CCC([NH2+]C[C@]3(O)CCC[N@H+]4CCCC[C@@H]43)CC2)c1 ZINC000063856200 541189152 /nfs/dbraw/zinc/18/91/52/541189152.db2.gz NIDMTCYVVRVLJO-FGZHOGPDSA-N 2 1 373.541 2.326 50 0 FEAAMP Oc1cccc(C[NH+]2CCC(NC[C@]3(O)CCC[N@@H+]4CCCC[C@@H]43)CC2)c1 ZINC000063856200 541189154 /nfs/dbraw/zinc/18/91/54/541189154.db2.gz NIDMTCYVVRVLJO-FGZHOGPDSA-N 2 1 373.541 2.326 50 0 FEAAMP Oc1cccc(C[NH+]2CCC(NC[C@]3(O)CCC[N@H+]4CCCC[C@@H]43)CC2)c1 ZINC000063856200 541189157 /nfs/dbraw/zinc/18/91/57/541189157.db2.gz NIDMTCYVVRVLJO-FGZHOGPDSA-N 2 1 373.541 2.326 50 0 FEAAMP C[NH+]1CCC(O)(C(=O)NCC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000097495390 209182558 /nfs/dbraw/zinc/18/25/58/209182558.db2.gz IGJYLRBULXPAEB-IBGZPJMESA-N 2 1 359.514 2.004 50 0 FEAAMP CCc1ccccc1OCCN(C)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072448324 541815787 /nfs/dbraw/zinc/81/57/87/541815787.db2.gz FWZIBKYWQUIZPZ-SFHVURJKSA-N 2 1 359.514 2.160 50 0 FEAAMP CCc1[nH+]ccn1CCCNc1nc(-c2ccccn2)nc2c1CC[NH2+]C2 ZINC000077355519 542372166 /nfs/dbraw/zinc/37/21/66/542372166.db2.gz MYWHRFMLLFQEBN-UHFFFAOYSA-N 2 1 363.469 2.445 50 0 FEAAMP C[N@@H+](CCc1ccccc1)Cc1cc(C(=O)N2CC[NH+]3CCC[C@H]3C2)no1 ZINC000244678831 522951739 /nfs/dbraw/zinc/95/17/39/522951739.db2.gz ILBXDEZLMOIEDS-SFHVURJKSA-N 2 1 368.481 2.269 50 0 FEAAMP C[NH+](CCc1ccccc1)Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)no1 ZINC000244678831 522951747 /nfs/dbraw/zinc/95/17/47/522951747.db2.gz ILBXDEZLMOIEDS-SFHVURJKSA-N 2 1 368.481 2.269 50 0 FEAAMP C[NH+](CCc1ccccc1)Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)no1 ZINC000244678831 522951755 /nfs/dbraw/zinc/95/17/55/522951755.db2.gz ILBXDEZLMOIEDS-SFHVURJKSA-N 2 1 368.481 2.269 50 0 FEAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000172791990 546267301 /nfs/dbraw/zinc/26/73/01/546267301.db2.gz ATWOVXPUPSYYAA-AEFFLSMTSA-N 2 1 369.550 2.268 50 0 FEAAMP O=C(NCC[NH+]1CCC(CO)CC1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299786430 553614308 /nfs/dbraw/zinc/61/43/08/553614308.db2.gz UEJMARSBRGQHJX-HBMCJLEFSA-N 2 1 371.525 2.033 50 0 FEAAMP Cc1ccc(O)c(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)n1 ZINC000108420618 570906021 /nfs/dbraw/zinc/90/60/21/570906021.db2.gz ZZBVUBCPLANJFO-SFHVURJKSA-N 2 1 368.481 2.083 50 0 FEAAMP [NH3+]Cc1cn(C[C@H]2CCC[N@@H+](Cc3ccccc3OC(F)F)C2)nn1 ZINC000023540702 670049493 /nfs/dbraw/zinc/04/94/93/670049493.db2.gz PRVIQDZIDUQKIT-ZDUSSCGKSA-N 2 1 351.401 2.250 50 0 FEAAMP O=C1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)N1CCC[NH+]1CCOCC1 ZINC000014988433 539609571 /nfs/dbraw/zinc/60/95/71/539609571.db2.gz XYJDBFDLJIBWFX-LJQANCHMSA-N 2 1 363.477 2.019 50 0 FEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](C/C=C/c3ccc(OC)cc3)CC[C@H]21 ZINC000072432432 541812774 /nfs/dbraw/zinc/81/27/74/541812774.db2.gz ILIMIYKCWLFUNU-ABQVSZSXSA-N 2 1 357.498 2.241 50 0 FEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(Cc1cnn(C)c1)C1CC1)CC[NH+](C)CC2 ZINC000072475110 541819629 /nfs/dbraw/zinc/81/96/29/541819629.db2.gz MTEGMFIBCUYGFI-LJQANCHMSA-N 2 1 373.545 2.107 50 0 FEAAMP C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000095368937 209033678 /nfs/dbraw/zinc/03/36/78/209033678.db2.gz ULXGLMDTMPWGIZ-LJQANCHMSA-N 2 1 359.539 2.083 50 0 FEAAMP C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000095368937 209033680 /nfs/dbraw/zinc/03/36/80/209033680.db2.gz ULXGLMDTMPWGIZ-LJQANCHMSA-N 2 1 359.539 2.083 50 0 FEAAMP Cc1nn(C)c(C)c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420563 543289767 /nfs/dbraw/zinc/28/97/67/543289767.db2.gz SMVINDHISVUMBE-LJQANCHMSA-N 2 1 369.513 2.024 50 0 FEAAMP COCC[N@H+]1CC[C@H](CN(C)C(=O)C2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000220032949 548698274 /nfs/dbraw/zinc/69/82/74/548698274.db2.gz RVWGYJWCXBTFSA-LJQANCHMSA-N 2 1 373.541 2.077 50 0 FEAAMP O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000222696899 548710353 /nfs/dbraw/zinc/71/03/53/548710353.db2.gz NHBBCNIZNBMGLJ-NRFANRHFSA-N 2 1 371.525 2.411 50 0 FEAAMP [NH3+][C@H]1C[C@H](c2cc(NCC3(C[NH+]4CCOCC4)CC3)nc(C3CC3)n2)C1 ZINC000243893163 548888906 /nfs/dbraw/zinc/88/89/06/548888906.db2.gz AOSCSTIUQUNKSO-WKILWMFISA-N 2 1 357.502 2.083 50 0 FEAAMP CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+][C@H](C)C3)C2)nc2ccccc21 ZINC000253603280 549698597 /nfs/dbraw/zinc/69/85/97/549698597.db2.gz JPOIRTQITQUKTJ-IAGOWNOFSA-N 2 1 369.513 2.089 50 0 FEAAMP CC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000426394480 571219154 /nfs/dbraw/zinc/21/91/54/571219154.db2.gz DTMZQRBUUKCEDJ-HXUWFJFHSA-N 2 1 358.530 2.288 50 0 FEAAMP CC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000426394480 571219156 /nfs/dbraw/zinc/21/91/56/571219156.db2.gz DTMZQRBUUKCEDJ-HXUWFJFHSA-N 2 1 358.530 2.288 50 0 FEAAMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cn(C)nc2-c2cccnc2)C[C@H](C)O1 ZINC000067452563 541466224 /nfs/dbraw/zinc/46/62/24/541466224.db2.gz WTGOKLFQRMGRQG-CALCHBBNSA-N 2 1 357.502 2.461 50 0 FEAAMP O[C@@]1(C[NH2+]Cc2ccccc2Cn2cccn2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063833383 212033595 /nfs/dbraw/zinc/03/35/95/212033595.db2.gz MOQOCZCEFNGZCJ-NHCUHLMSSA-N 2 1 354.498 2.400 50 0 FEAAMP O[C@@]1(C[NH2+]Cc2ccccc2Cn2cccn2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063833383 212033600 /nfs/dbraw/zinc/03/36/00/212033600.db2.gz MOQOCZCEFNGZCJ-NHCUHLMSSA-N 2 1 354.498 2.400 50 0 FEAAMP C[NH+](C)CCNC(=S)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000014160831 211078529 /nfs/dbraw/zinc/07/85/29/211078529.db2.gz HAJOBFKLZKFXLJ-UHFFFAOYSA-N 2 1 362.568 2.455 50 0 FEAAMP COc1cccc(C[NH2+]CCC[NH2+]CCO)c1OCc1ccccc1F ZINC000013732845 211054720 /nfs/dbraw/zinc/05/47/20/211054720.db2.gz VMYNCHFNIRYEKG-UHFFFAOYSA-N 2 1 362.445 2.475 50 0 FEAAMP C[N@@H+](C1CCN(C(=O)c2cnccn2)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067688715 221271112 /nfs/dbraw/zinc/27/11/12/221271112.db2.gz KWYOYLBLJDBQKX-UHFFFAOYSA-N 2 1 359.518 2.322 50 0 FEAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCOCC1 ZINC000067772665 221283721 /nfs/dbraw/zinc/28/37/21/221283721.db2.gz RUWZGLMMQXQXEU-HXUWFJFHSA-N 2 1 371.525 2.222 50 0 FEAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCOCC1 ZINC000067772665 221283723 /nfs/dbraw/zinc/28/37/23/221283723.db2.gz RUWZGLMMQXQXEU-HXUWFJFHSA-N 2 1 371.525 2.222 50 0 FEAAMP O=C(NCCF)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071576031 221352466 /nfs/dbraw/zinc/35/24/66/221352466.db2.gz OGAVQRXRHULCSQ-IBGZPJMESA-N 2 1 373.516 2.416 50 0 FEAAMP Cc1[nH+]ccn1CC1CCN(c2cc(C3CC([NH3+])C3)nc(N(C)C)n2)CC1 ZINC000219845865 132274675 /nfs/dbraw/zinc/27/46/75/132274675.db2.gz CMCKIFLCQNWWOS-UHFFFAOYSA-N 2 1 369.517 2.169 50 0 FEAAMP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000091505758 542811005 /nfs/dbraw/zinc/81/10/05/542811005.db2.gz MHFLYRUUYAMKEZ-AZUAARDMSA-N 2 1 356.514 2.380 50 0 FEAAMP CN(CC[NH+](C)C)C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@@H]1CO ZINC000091997831 542836123 /nfs/dbraw/zinc/83/61/23/542836123.db2.gz JTAGRLMLILDHKY-NHCUHLMSSA-N 2 1 355.526 2.374 50 0 FEAAMP c1cc(OCCCN2CCOCC2)ccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000097155841 222164454 /nfs/dbraw/zinc/16/44/54/222164454.db2.gz JWHXWVQLTUTWJT-QFIPXVFZSA-N 2 1 373.541 2.363 50 0 FEAAMP c1cc(OCCCN2CCOCC2)ccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000097155841 222164456 /nfs/dbraw/zinc/16/44/56/222164456.db2.gz JWHXWVQLTUTWJT-QFIPXVFZSA-N 2 1 373.541 2.363 50 0 FEAAMP Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000081306124 524554028 /nfs/dbraw/zinc/55/40/28/524554028.db2.gz GMBZLJYLUIHVIJ-NRFANRHFSA-N 2 1 370.541 2.204 50 0 FEAAMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000172809597 546267505 /nfs/dbraw/zinc/26/75/05/546267505.db2.gz FPQXTPGFNCGDRT-HXUWFJFHSA-N 2 1 359.514 2.400 50 0 FEAAMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000172809597 546267508 /nfs/dbraw/zinc/26/75/08/546267508.db2.gz FPQXTPGFNCGDRT-HXUWFJFHSA-N 2 1 359.514 2.400 50 0 FEAAMP Cc1cc(C[NH+]2CCC(C)CC2)c(C)c(C[NH+]2CCN(CC(N)=O)CC2)c1 ZINC000216224863 548676133 /nfs/dbraw/zinc/67/61/33/548676133.db2.gz QOOQKOWMFYXWFH-UHFFFAOYSA-N 2 1 372.557 2.138 50 0 FEAAMP C[NH+](C)CCOc1ccccc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000216335122 548677618 /nfs/dbraw/zinc/67/76/18/548677618.db2.gz CWHCQDXTWOQAQC-HXUWFJFHSA-N 2 1 361.530 2.314 50 0 FEAAMP COc1ccc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3C)C2)cc1OCC[NH3+] ZINC000426536513 559737342 /nfs/dbraw/zinc/73/73/42/559737342.db2.gz QFYILQBTVLEEDG-MRXNPFEDSA-N 2 1 372.469 2.090 50 0 FEAAMP Cc1[nH+]ccn1CCN(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426387116 571218183 /nfs/dbraw/zinc/21/81/83/571218183.db2.gz POXUONJJUFMNHT-IBGZPJMESA-N 2 1 355.486 2.355 50 0 FEAAMP Cc1[nH+]ccn1CCN(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426387116 571218184 /nfs/dbraw/zinc/21/81/84/571218184.db2.gz POXUONJJUFMNHT-IBGZPJMESA-N 2 1 355.486 2.355 50 0 FEAAMP COCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012452904 539560752 /nfs/dbraw/zinc/56/07/52/539560752.db2.gz AEVBYHATIVZEIW-KRWDZBQOSA-N 2 1 365.493 2.074 50 0 FEAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000057127532 540770962 /nfs/dbraw/zinc/77/09/62/540770962.db2.gz BMVARYDEUYPGAR-HZPDHXFCSA-N 2 1 370.501 2.353 50 0 FEAAMP O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1CCC[NH+]1CCOCC1 ZINC000014988430 211110092 /nfs/dbraw/zinc/11/00/92/211110092.db2.gz XYJDBFDLJIBWFX-IBGZPJMESA-N 2 1 363.477 2.019 50 0 FEAAMP CC[N@H+]1CCc2nc[nH]c2C12CCN(c1nc(N(C)C)[nH+]c(C)c1C)CC2 ZINC000091997564 132205423 /nfs/dbraw/zinc/20/54/23/132205423.db2.gz NTAFWIRHHWZZPW-UHFFFAOYSA-N 2 1 369.517 2.256 50 0 FEAAMP Cc1c[nH+]ccc1N1CCC[N@H+](C2CCN(c3ncccn3)CC2)CC1 ZINC000095526097 132214702 /nfs/dbraw/zinc/21/47/02/132214702.db2.gz ZKBIGLFXGFZTDK-UHFFFAOYSA-N 2 1 352.486 2.361 50 0 FEAAMP Cc1c[nH]c(C[NH+]2CCC3(CC2)CC[N@H+](Cc2cc(C)no2)C[C@@H]3CO)n1 ZINC000097301231 222173013 /nfs/dbraw/zinc/17/30/13/222173013.db2.gz XZZVWEVXBVMHCF-QGZVFWFLSA-N 2 1 373.501 2.111 50 0 FEAAMP Cc1c[nH]c(C[NH+]2CCC3(CC2)CC[N@@H+](Cc2cc(C)no2)C[C@@H]3CO)n1 ZINC000097301231 222173015 /nfs/dbraw/zinc/17/30/15/222173015.db2.gz XZZVWEVXBVMHCF-QGZVFWFLSA-N 2 1 373.501 2.111 50 0 FEAAMP C[NH+]1CCC(O)(C(=O)NCC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000097495392 222185649 /nfs/dbraw/zinc/18/56/49/222185649.db2.gz IGJYLRBULXPAEB-LJQANCHMSA-N 2 1 359.514 2.004 50 0 FEAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(O)cc3)C[C@H]2CCO)CC1 ZINC000104642846 222358929 /nfs/dbraw/zinc/35/89/29/222358929.db2.gz PGTCHVIKPJBJMY-HXUWFJFHSA-N 2 1 361.530 2.134 50 0 FEAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(O)cc3)C[C@H]2CCO)CC1 ZINC000104642846 222358934 /nfs/dbraw/zinc/35/89/34/222358934.db2.gz PGTCHVIKPJBJMY-HXUWFJFHSA-N 2 1 361.530 2.134 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](Cc3cccc(O)c3)CC2)n1C ZINC000091410773 527449483 /nfs/dbraw/zinc/44/94/83/527449483.db2.gz GJLCJJLZOYEJHQ-UHFFFAOYSA-N 2 1 366.469 2.454 50 0 FEAAMP CN1CC[NH+](CCCOc2ccccc2CN2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000216073836 548676314 /nfs/dbraw/zinc/67/63/14/548676314.db2.gz VQZQSVSPYYEGEM-OAQYLSRUSA-N 2 1 374.573 2.229 50 0 FEAAMP C[N@H+](CC(=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000218857609 548690132 /nfs/dbraw/zinc/69/01/32/548690132.db2.gz NTNNVJIQBHPWFM-FQEVSTJZSA-N 2 1 359.514 2.222 50 0 FEAAMP C[N@@H+](CC(=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000218857609 548690134 /nfs/dbraw/zinc/69/01/34/548690134.db2.gz NTNNVJIQBHPWFM-FQEVSTJZSA-N 2 1 359.514 2.222 50 0 FEAAMP COc1ccc(/C=C/C[N@@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)cc1 ZINC000221290256 548703635 /nfs/dbraw/zinc/70/36/35/548703635.db2.gz GSNCJAVSWPGALY-LWQICCLCSA-N 2 1 370.497 2.406 50 0 FEAAMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)cs1 ZINC000237613476 548838217 /nfs/dbraw/zinc/83/82/17/548838217.db2.gz KMNUBIXIZGGNLP-SUMWQHHRSA-N 2 1 350.532 2.249 50 0 FEAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](C)O)CC2)CC1 ZINC000011839352 539536080 /nfs/dbraw/zinc/53/60/80/539536080.db2.gz DOQCYPOUYZKWSN-GOSISDBHSA-N 2 1 373.541 2.168 50 0 FEAAMP COc1cc(C[NH2+]CCSC)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012315420 539554527 /nfs/dbraw/zinc/55/45/27/539554527.db2.gz HBBVOBAGXHUISL-INIZCTEOSA-N 2 1 356.532 2.228 50 0 FEAAMP COCC[NH+]1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299763740 210013518 /nfs/dbraw/zinc/01/35/18/210013518.db2.gz QNNFSGIMGCHIQN-ZCNNSNEGSA-N 2 1 357.498 2.003 50 0 FEAAMP COCC[NH+]1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)CC1 ZINC000299763740 210013522 /nfs/dbraw/zinc/01/35/22/210013522.db2.gz QNNFSGIMGCHIQN-ZCNNSNEGSA-N 2 1 357.498 2.003 50 0 FEAAMP CC(C)[NH+]1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000014964597 539608051 /nfs/dbraw/zinc/60/80/51/539608051.db2.gz IZTCVZPZQCEQKN-IBGZPJMESA-N 2 1 373.545 2.216 50 0 FEAAMP c1c(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)nn2c1C[NH2+]CC2 ZINC000072130998 541785197 /nfs/dbraw/zinc/78/51/97/541785197.db2.gz BJWJUXOYFGYHTI-UHFFFAOYSA-N 2 1 351.498 2.009 50 0 FEAAMP COc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072430777 541812544 /nfs/dbraw/zinc/81/25/44/541812544.db2.gz BZPZKYNWVMZAKD-MRXNPFEDSA-N 2 1 365.905 2.381 50 0 FEAAMP CCCn1ccnc1CNC(=O)[C@@H]1CC2(C[N@H+]1CCC)CC[NH+](C)CC2 ZINC000072480234 541821387 /nfs/dbraw/zinc/82/13/87/541821387.db2.gz NETCKOIELTWOHE-KRWDZBQOSA-N 2 1 361.534 2.106 50 0 FEAAMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000072630443 541841024 /nfs/dbraw/zinc/84/10/24/541841024.db2.gz DWFUGYOXNYPCEV-UHFFFAOYSA-N 2 1 371.525 2.040 50 0 FEAAMP CC1(C)CC(NC(=O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000000758002 210269012 /nfs/dbraw/zinc/26/90/12/210269012.db2.gz CMBCMPYRBVJZDI-UHFFFAOYSA-N 3 1 352.567 2.311 50 0 FEAAMP Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)cc1 ZINC000065382175 221207656 /nfs/dbraw/zinc/20/76/56/221207656.db2.gz PSERXMWHNXWPGZ-SFHVURJKSA-N 2 1 359.514 2.095 50 0 FEAAMP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1(C[NH+]2CCOCC2)CCCCC1 ZINC000065506868 221228827 /nfs/dbraw/zinc/22/88/27/221228827.db2.gz HSJAIKKKHVHPQB-GOSISDBHSA-N 2 1 351.535 2.402 50 0 FEAAMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC1(C[NH+]2CCOCC2)CCCCC1 ZINC000065506868 221228829 /nfs/dbraw/zinc/22/88/29/221228829.db2.gz HSJAIKKKHVHPQB-GOSISDBHSA-N 2 1 351.535 2.402 50 0 FEAAMP CN1CCC[N@H+](Cc2ccnn2-c2ccccc2)CC12CC[NH+](C)CC2 ZINC000067654684 221266701 /nfs/dbraw/zinc/26/67/01/221266701.db2.gz LNPSQTDTXYDZND-UHFFFAOYSA-N 2 1 353.514 2.474 50 0 FEAAMP CN1CCC[N@@H+](Cc2ccnn2-c2ccccc2)CC12CC[NH+](C)CC2 ZINC000067654684 221266704 /nfs/dbraw/zinc/26/67/04/221266704.db2.gz LNPSQTDTXYDZND-UHFFFAOYSA-N 2 1 353.514 2.474 50 0 FEAAMP C[NH2+]C1CC[NH+](C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1 ZINC000067954445 221308107 /nfs/dbraw/zinc/30/81/07/221308107.db2.gz RUUPSVGNUWHKRE-QFIPXVFZSA-N 2 1 373.541 2.347 50 0 FEAAMP COc1ccccc1CN1CCC[N@@H+](C)CCN(C)CCC[NH+](C)CC1 ZINC000068604341 221316918 /nfs/dbraw/zinc/31/69/18/221316918.db2.gz IUEZULGGTUIKGI-UHFFFAOYSA-N 2 1 362.562 2.086 50 0 FEAAMP COc1ccccc1CN1CCC[NH+](C)CCN(C)CCC[N@H+](C)CC1 ZINC000068604341 221316920 /nfs/dbraw/zinc/31/69/20/221316920.db2.gz IUEZULGGTUIKGI-UHFFFAOYSA-N 2 1 362.562 2.086 50 0 FEAAMP COc1ccccc1CN1CCC[NH+](C)CCN(C)CCC[N@@H+](C)CC1 ZINC000068604341 221316922 /nfs/dbraw/zinc/31/69/22/221316922.db2.gz IUEZULGGTUIKGI-UHFFFAOYSA-N 2 1 362.562 2.086 50 0 FEAAMP COc1ccccc1C[N@@H+]1CCCN(C)CC[NH+](C)CCCN(C)CC1 ZINC000068604341 221316924 /nfs/dbraw/zinc/31/69/24/221316924.db2.gz IUEZULGGTUIKGI-UHFFFAOYSA-N 2 1 362.562 2.086 50 0 FEAAMP COc1ccccc1C[N@H+]1CCCN(C)CC[NH+](C)CCCN(C)CC1 ZINC000068604341 221316928 /nfs/dbraw/zinc/31/69/28/221316928.db2.gz IUEZULGGTUIKGI-UHFFFAOYSA-N 2 1 362.562 2.086 50 0 FEAAMP COc1ccccc1C[NH+]1CCCN(C)CC[N@H+](C)CCCN(C)CC1 ZINC000068604341 221316930 /nfs/dbraw/zinc/31/69/30/221316930.db2.gz IUEZULGGTUIKGI-UHFFFAOYSA-N 2 1 362.562 2.086 50 0 FEAAMP COc1ccccc1C[NH+]1CCCN(C)CC[N@@H+](C)CCCN(C)CC1 ZINC000068604341 221316932 /nfs/dbraw/zinc/31/69/32/221316932.db2.gz IUEZULGGTUIKGI-UHFFFAOYSA-N 2 1 362.562 2.086 50 0 FEAAMP Cc1[nH+]ccn1CCCn1nc([C@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000071497756 221350967 /nfs/dbraw/zinc/35/09/67/221350967.db2.gz VSCRJJMQNGGGPA-KRWDZBQOSA-N 2 1 366.469 2.096 50 0 FEAAMP COCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071552088 221352612 /nfs/dbraw/zinc/35/26/12/221352612.db2.gz QUDJDWZHJVDWLX-HXUWFJFHSA-N 2 1 373.541 2.468 50 0 FEAAMP COCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071552088 221352614 /nfs/dbraw/zinc/35/26/14/221352614.db2.gz QUDJDWZHJVDWLX-HXUWFJFHSA-N 2 1 373.541 2.468 50 0 FEAAMP CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](C1CCN(c3cc(C)[nH+]c(N(C)C)n3)CC1)C2 ZINC000102850649 132236102 /nfs/dbraw/zinc/23/61/02/132236102.db2.gz RHPXPBSJAIOBMK-MNZLEMJZSA-N 2 1 359.518 2.177 50 0 FEAAMP Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095526342 542981271 /nfs/dbraw/zinc/98/12/71/542981271.db2.gz IJMYXIAXVVPZOQ-GOSISDBHSA-N 2 1 372.517 2.136 50 0 FEAAMP C[N@H+]1CCCN(Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000108254434 543284397 /nfs/dbraw/zinc/28/43/97/543284397.db2.gz FDSCKNWVNAQEJA-FQEVSTJZSA-N 2 1 361.530 2.050 50 0 FEAAMP CN1CCC[N@H+](Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000108254434 543284398 /nfs/dbraw/zinc/28/43/98/543284398.db2.gz FDSCKNWVNAQEJA-FQEVSTJZSA-N 2 1 361.530 2.050 50 0 FEAAMP CN1CCC[N@@H+](Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000108254434 543284400 /nfs/dbraw/zinc/28/44/00/543284400.db2.gz FDSCKNWVNAQEJA-FQEVSTJZSA-N 2 1 361.530 2.050 50 0 FEAAMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N[C@H]3CC[C@@H]([NH3+])CC3)nc2)C1 ZINC000244795104 519731051 /nfs/dbraw/zinc/73/10/51/519731051.db2.gz QZNMFKMJBMGABS-YTQUADARSA-N 2 1 373.545 2.471 50 0 FEAAMP CS(=O)(=O)NC1CC[NH+](Cc2cc(C[NH+]3CCCCC3)cs2)CC1 ZINC000215250208 548669287 /nfs/dbraw/zinc/66/92/87/548669287.db2.gz ILLILRMSUYZXJA-UHFFFAOYSA-N 2 1 371.572 2.248 50 0 FEAAMP C[N@@H+]1CCN(C(=O)CN2CCOc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000215748287 548673427 /nfs/dbraw/zinc/67/34/27/548673427.db2.gz IBEUVRPPMOFTAP-FQEVSTJZSA-N 2 1 365.477 2.396 50 0 FEAAMP C[N@H+]1CCN(C(=O)CN2CCOc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000215748287 548673433 /nfs/dbraw/zinc/67/34/33/548673433.db2.gz IBEUVRPPMOFTAP-FQEVSTJZSA-N 2 1 365.477 2.396 50 0 FEAAMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000237626915 548841098 /nfs/dbraw/zinc/84/10/98/548841098.db2.gz JSHOLPYHSWVLQB-LJCCNALRSA-N 2 1 359.514 2.495 50 0 FEAAMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000237626915 548841101 /nfs/dbraw/zinc/84/11/01/548841101.db2.gz JSHOLPYHSWVLQB-LJCCNALRSA-N 2 1 359.514 2.495 50 0 FEAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](CCc1ccccn1)C2 ZINC000244724207 548893961 /nfs/dbraw/zinc/89/39/61/548893961.db2.gz MPUXBKQMHOQCSF-FCEUIQTBSA-N 2 1 373.541 2.464 50 0 FEAAMP CC(C)[N@@H+]1CCCN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000244873438 548897886 /nfs/dbraw/zinc/89/78/86/548897886.db2.gz WQJYKNYNFFKBET-HXUWFJFHSA-N 2 1 359.514 2.220 50 0 FEAAMP CC(C)[N@H+]1CCCN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000244873438 548897889 /nfs/dbraw/zinc/89/78/89/548897889.db2.gz WQJYKNYNFFKBET-HXUWFJFHSA-N 2 1 359.514 2.220 50 0 FEAAMP CC(C)[NH+]1CCCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000244873438 548897894 /nfs/dbraw/zinc/89/78/94/548897894.db2.gz WQJYKNYNFFKBET-HXUWFJFHSA-N 2 1 359.514 2.220 50 0 FEAAMP CC(C)[NH+]1CCCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000244873438 548897897 /nfs/dbraw/zinc/89/78/97/548897897.db2.gz WQJYKNYNFFKBET-HXUWFJFHSA-N 2 1 359.514 2.220 50 0 FEAAMP Nc1cc[nH+]cc1-c1cccc(C(=O)NCC2(C[NH+]3CCOCC3)CC2)c1 ZINC000426477881 571227390 /nfs/dbraw/zinc/22/73/90/571227390.db2.gz IRKXNOLCYPNMNI-UHFFFAOYSA-N 2 1 366.465 2.003 50 0 FEAAMP CCC[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000011768913 539535264 /nfs/dbraw/zinc/53/52/64/539535264.db2.gz FZWUSEVQZNHELB-IBGZPJMESA-N 2 1 364.578 2.173 50 0 FEAAMP CCC[NH+]1CCC(CC(=O)N[C@H]2CCCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000011768913 539535267 /nfs/dbraw/zinc/53/52/67/539535267.db2.gz FZWUSEVQZNHELB-IBGZPJMESA-N 2 1 364.578 2.173 50 0 FEAAMP CCC[NH+]1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000012591341 539567068 /nfs/dbraw/zinc/56/70/68/539567068.db2.gz JOAZFEBTFDOCKB-IBGZPJMESA-N 2 1 373.545 2.218 50 0 FEAAMP COCCn1c(C[NH2+]Cc2cccc(Cl)c2C)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000243932532 222925266 /nfs/dbraw/zinc/92/52/66/222925266.db2.gz BXBZZYFKELPTTB-GASCZTMLSA-N 2 1 363.893 2.381 50 0 FEAAMP COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3cc4n(n3)CCC[NH2+]C4)C2)c1 ZINC000072144984 541788022 /nfs/dbraw/zinc/78/80/22/541788022.db2.gz SXTAYMOICORYBS-OAHLLOKOSA-N 2 1 356.470 2.383 50 0 FEAAMP COc1ccc(OC)c([C@@H]2CC[N@@H+](Cc3cc4n(n3)CCC[NH2+]C4)C2)c1 ZINC000072144984 541788025 /nfs/dbraw/zinc/78/80/25/541788025.db2.gz SXTAYMOICORYBS-OAHLLOKOSA-N 2 1 356.470 2.383 50 0 FEAAMP COc1cccc(C[NH2+]CCC[NH2+]CCO)c1OCc1ccc(F)cc1 ZINC000013732848 211054018 /nfs/dbraw/zinc/05/40/18/211054018.db2.gz LVOMRQKHUKJFLN-UHFFFAOYSA-N 2 1 362.445 2.475 50 0 FEAAMP CN1CC[N@@H+](C)CC12CC[NH+](Cc1ccccc1Cn1cccn1)CC2 ZINC000067788316 221286276 /nfs/dbraw/zinc/28/62/76/221286276.db2.gz CPOJDTNWUTXFDK-UHFFFAOYSA-N 2 1 353.514 2.143 50 0 FEAAMP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CC[NH2+][C@@H](C)C2)nc1 ZINC000067879394 221299989 /nfs/dbraw/zinc/29/99/89/221299989.db2.gz URJYHEBLHUHJIG-INIZCTEOSA-N 2 1 370.501 2.020 50 0 FEAAMP CCn1c(=O)n(CC[NH+](C)C)nc1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067895435 221302688 /nfs/dbraw/zinc/30/26/88/221302688.db2.gz XMCDXZFTCKUTSF-GOSISDBHSA-N 2 1 357.502 2.006 50 0 FEAAMP CC[C@@H]1CN(c2nc(-c3cccnc3)nc3c2C[NH2+]C3)CC[N@@H+]1C(C)C ZINC000072129245 136142085 /nfs/dbraw/zinc/14/20/85/136142085.db2.gz YNYQKTGDUDZPFC-MRXNPFEDSA-N 2 1 352.486 2.451 50 0 FEAAMP CC[C@@H]1CN(c2nc(-c3cccnc3)nc3c2C[NH2+]C3)CC[N@H+]1C(C)C ZINC000072129245 136142086 /nfs/dbraw/zinc/14/20/86/136142086.db2.gz YNYQKTGDUDZPFC-MRXNPFEDSA-N 2 1 352.486 2.451 50 0 FEAAMP C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCCC2)C1 ZINC000095352834 542957592 /nfs/dbraw/zinc/95/75/92/542957592.db2.gz HYHHNAGEKXDGRV-KRWDZBQOSA-N 2 1 361.534 2.025 50 0 FEAAMP COC(=O)CC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000101237036 222266795 /nfs/dbraw/zinc/26/67/95/222266795.db2.gz YQJSNAJIQYBABK-UXHICEINSA-N 2 1 359.514 2.078 50 0 FEAAMP COCCCN1CC2(CCC1=O)CC[NH+](CCCn1cc[nH+]c1C)CC2 ZINC000091462331 523294731 /nfs/dbraw/zinc/29/47/31/523294731.db2.gz RDQDJWPMTSCSPA-UHFFFAOYSA-N 2 1 362.518 2.323 50 0 FEAAMP CN1CCN(CCOc2ccccc2C[N@H+]2CCCCC[C@@H]2CO)CC1 ZINC000215864426 548674962 /nfs/dbraw/zinc/67/49/62/548674962.db2.gz ULIYXTZXOJTTDC-HXUWFJFHSA-N 2 1 361.530 2.050 50 0 FEAAMP CN1CC[NH+](CCOc2ccccc2C[N@@H+]2CCCCC[C@@H]2CO)CC1 ZINC000215864426 548674967 /nfs/dbraw/zinc/67/49/67/548674967.db2.gz ULIYXTZXOJTTDC-HXUWFJFHSA-N 2 1 361.530 2.050 50 0 FEAAMP COc1ccc(-c2nc3c([nH]2)C[N@H+](CCCn2cc[nH+]c2C)CC3)cn1 ZINC000220574446 548700767 /nfs/dbraw/zinc/70/07/67/548700767.db2.gz KSBKOPPQWNHLPJ-UHFFFAOYSA-N 2 1 352.442 2.434 50 0 FEAAMP COc1ccc(-c2nc3c([nH]2)C[N@@H+](CCCn2cc[nH+]c2C)CC3)cn1 ZINC000220574446 548700771 /nfs/dbraw/zinc/70/07/71/548700771.db2.gz KSBKOPPQWNHLPJ-UHFFFAOYSA-N 2 1 352.442 2.434 50 0 FEAAMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237606775 548838403 /nfs/dbraw/zinc/83/84/03/548838403.db2.gz GSABEQFFZXQTPV-SVFBPWRDSA-N 2 1 372.557 2.484 50 0 FEAAMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CC23CC[NH2+]CC3)C[C@H](C)O1 ZINC000237775190 548852484 /nfs/dbraw/zinc/85/24/84/548852484.db2.gz IOHIAPROXXXMJA-QKLQHJQFSA-N 2 1 371.525 2.302 50 0 FEAAMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CC23CC[NH2+]CC3)C[C@H](C)O1 ZINC000237775190 548852488 /nfs/dbraw/zinc/85/24/88/548852488.db2.gz IOHIAPROXXXMJA-QKLQHJQFSA-N 2 1 371.525 2.302 50 0 FEAAMP CCn1c(C[NH2+]Cc2cc3cc(OC)ccc3[nH]2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244602014 548891009 /nfs/dbraw/zinc/89/10/09/548891009.db2.gz DWBRYBGZBRIDJE-OKILXGFUSA-N 2 1 354.458 2.282 50 0 FEAAMP COc1cc(C[NH2+]CCSC)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012315421 539554099 /nfs/dbraw/zinc/55/40/99/539554099.db2.gz HBBVOBAGXHUISL-MRXNPFEDSA-N 2 1 356.532 2.228 50 0 FEAAMP [NH3+][C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000299783348 210026897 /nfs/dbraw/zinc/02/68/97/210026897.db2.gz YGDSJAVNSUKJEG-CFGMGRTJSA-N 2 1 361.436 2.195 50 0 FEAAMP COC1(c2ccccc2)CCN(C(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)CC1 ZINC000072409407 541806340 /nfs/dbraw/zinc/80/63/40/541806340.db2.gz CNODCRGTIPIVDE-IBGZPJMESA-N 2 1 371.525 2.225 50 0 FEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCCc1ccncc1)CC[NH+](C)CC2 ZINC000072430967 541812788 /nfs/dbraw/zinc/81/27/88/541812788.db2.gz IJHABZXIDCDYJT-IBGZPJMESA-N 2 1 358.530 2.327 50 0 FEAAMP C[NH+]1CCC(N2CC[N@@H+](Cc3cccc4cnccc43)C[C@@H]2CCO)CC1 ZINC000020906662 211299969 /nfs/dbraw/zinc/29/99/69/211299969.db2.gz PUJNROGAXNRZDL-NRFANRHFSA-N 2 1 368.525 2.198 50 0 FEAAMP O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC000019218918 211206638 /nfs/dbraw/zinc/20/66/38/211206638.db2.gz DTLZGYBKCCKNCI-IBGZPJMESA-N 2 1 356.514 2.284 50 0 FEAAMP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCC=C(C)C)CC2)C1 ZINC000071714752 221354742 /nfs/dbraw/zinc/35/47/42/221354742.db2.gz LDKHMQNPRUJHST-GOSISDBHSA-N 2 1 351.535 2.282 50 0 FEAAMP CC[C@H]1CN(c2nc(-c3cccnc3)nc3c2C[NH2+]C3)CC[N@@H+]1C(C)C ZINC000072129246 136142171 /nfs/dbraw/zinc/14/21/71/136142171.db2.gz YNYQKTGDUDZPFC-INIZCTEOSA-N 2 1 352.486 2.451 50 0 FEAAMP CC[C@H]1CN(c2nc(-c3cccnc3)nc3c2C[NH2+]C3)CC[N@H+]1C(C)C ZINC000072129246 136142172 /nfs/dbraw/zinc/14/21/72/136142172.db2.gz YNYQKTGDUDZPFC-INIZCTEOSA-N 2 1 352.486 2.451 50 0 FEAAMP O=C([C@H]1CCC[N@@H+](C2CCCC2)C1)N1CC[NH+](CCn2cccc2)CC1 ZINC000095362901 542959794 /nfs/dbraw/zinc/95/97/94/542959794.db2.gz KWSYBFOZMCVONM-IBGZPJMESA-N 2 1 358.530 2.287 50 0 FEAAMP O=C([C@H]1CCC[N@H+](C2CCCC2)C1)N1CC[NH+](CCn2cccc2)CC1 ZINC000095362901 542959799 /nfs/dbraw/zinc/95/97/99/542959799.db2.gz KWSYBFOZMCVONM-IBGZPJMESA-N 2 1 358.530 2.287 50 0 FEAAMP O=C(CC[NH+]1CCCCCCC1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095501345 542975036 /nfs/dbraw/zinc/97/50/36/542975036.db2.gz CRGLFVQOMLCXRM-OAQYLSRUSA-N 2 1 373.541 2.348 50 0 FEAAMP CC(C)[NH+]1CCC(N2CC[N@H+](C3CCSCC3)C[C@H]2CCO)CC1 ZINC000104364230 222355725 /nfs/dbraw/zinc/35/57/25/222355725.db2.gz LRAIQUWIBQGROO-LJQANCHMSA-N 2 1 355.592 2.123 50 0 FEAAMP C[NH+]1CCC(C(=O)NCCC[N@H+]2CCCC[C@@H]2CO)(c2ccccc2)CC1 ZINC000670472094 571048076 /nfs/dbraw/zinc/04/80/76/571048076.db2.gz BLCCPHSKOHUJGS-HXUWFJFHSA-N 2 1 373.541 2.003 50 0 FEAAMP C[N@H+](Cc1ccccc1)C1CCN(c2cc([C@@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426397619 571136417 /nfs/dbraw/zinc/13/64/17/571136417.db2.gz QWMPFGLHDVLGSV-QGZVFWFLSA-N 2 1 367.497 2.664 50 0 FEAAMP C[N@@H+](Cc1ccccc1)C1CCN(c2cc([C@@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426397619 571136419 /nfs/dbraw/zinc/13/64/19/571136419.db2.gz QWMPFGLHDVLGSV-QGZVFWFLSA-N 2 1 367.497 2.664 50 0 FEAAMP C[NH+](C)CCNc1nc2[nH]nc(N)c2c2c1C[N@@H+](C1CCCCC1)CC2 ZINC000005207455 539405520 /nfs/dbraw/zinc/40/55/20/539405520.db2.gz FJEWFWIDLDMVFF-UHFFFAOYSA-N 2 1 357.506 2.204 50 0 FEAAMP C[NH+](C)CCNc1nc2[nH]nc(N)c2c2c1C[N@H+](C1CCCCC1)CC2 ZINC000005207455 539405522 /nfs/dbraw/zinc/40/55/22/539405522.db2.gz FJEWFWIDLDMVFF-UHFFFAOYSA-N 2 1 357.506 2.204 50 0 FEAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](C)O)CC2)CC1 ZINC000011839354 539536216 /nfs/dbraw/zinc/53/62/16/539536216.db2.gz DOQCYPOUYZKWSN-SFHVURJKSA-N 2 1 373.541 2.168 50 0 FEAAMP CCn1cc(C[NH2+]Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000012112081 539544028 /nfs/dbraw/zinc/54/40/28/539544028.db2.gz GQLFNXNREGHCKB-HXUWFJFHSA-N 2 1 372.513 2.418 50 0 FEAAMP CCc1[nH+]ccn1CCC(=O)NC[C@H]1CCC2(CC[NH+](C(C)C)CC2)O1 ZINC000299766689 210014500 /nfs/dbraw/zinc/01/45/00/210014500.db2.gz DYIPJEPFZMOXRG-QGZVFWFLSA-N 2 1 362.518 2.374 50 0 FEAAMP C[NH+](C)CCN(Cc1ccsc1)C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063848013 212033286 /nfs/dbraw/zinc/03/32/86/212033286.db2.gz UFGZMEGQTLVAHZ-RTBURBONSA-N 2 1 351.560 2.491 50 0 FEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N1CCc3[nH]nc(CC)c3C1)CC[NH+](C)CC2 ZINC000072411523 541807134 /nfs/dbraw/zinc/80/71/34/541807134.db2.gz IZJIOMSPNBAISL-IBGZPJMESA-N 2 1 373.545 2.053 50 0 FEAAMP CCC[N@@H+]1CC2(C[C@H]1C(=O)N1CCc3n[nH]c(CC)c3C1)CC[NH+](C)CC2 ZINC000072411523 541807136 /nfs/dbraw/zinc/80/71/36/541807136.db2.gz IZJIOMSPNBAISL-IBGZPJMESA-N 2 1 373.545 2.053 50 0 FEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N1CCc3n[nH]c(CC)c3C1)CC[NH+](C)CC2 ZINC000072411523 541807140 /nfs/dbraw/zinc/80/71/40/541807140.db2.gz IZJIOMSPNBAISL-IBGZPJMESA-N 2 1 373.545 2.053 50 0 FEAAMP O=C(NCCCC[NH+]1CCCC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000058173018 221102293 /nfs/dbraw/zinc/10/22/93/221102293.db2.gz OFEFINGKLBNCIK-UHFFFAOYSA-N 2 1 374.529 2.194 50 0 FEAAMP Cc1nn(CC[N@H+]2CC[C@H](CO)C2)cc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000065394468 221210231 /nfs/dbraw/zinc/21/02/31/221210231.db2.gz UEBHHUJWXIPVKZ-KRWDZBQOSA-N 2 1 362.905 2.449 50 0 FEAAMP Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000071753022 221364111 /nfs/dbraw/zinc/36/41/11/221364111.db2.gz YUWZCCMOFBYQDM-KRWDZBQOSA-N 2 1 361.534 2.261 50 0 FEAAMP Cc1ncccc1Oc1ncnc(N2CCC([NH2+][C@@H]3CC[NH2+]C3)CC2)c1C ZINC000096150696 132220723 /nfs/dbraw/zinc/22/07/23/132220723.db2.gz QPHNQFNUAJVVSW-QGZVFWFLSA-N 2 1 368.485 2.201 50 0 FEAAMP OCC[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095520837 542980262 /nfs/dbraw/zinc/98/02/62/542980262.db2.gz FVFSULRYPBUPGS-QFIPXVFZSA-N 2 1 358.526 2.339 50 0 FEAAMP Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)nc(N2CCCC2)[nH+]1 ZINC000108269371 543284757 /nfs/dbraw/zinc/28/47/57/543284757.db2.gz ICVZTKPOTRBYSK-LJQANCHMSA-N 2 1 367.497 2.068 50 0 FEAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2CO)CC1 ZINC000091381587 521686057 /nfs/dbraw/zinc/68/60/57/521686057.db2.gz PMGJLUDLYRGDBH-QZTJIDSGSA-N 2 1 351.922 2.018 50 0 FEAAMP CN1CCN(CCOc2ccccc2C[N@H+]2CCCCC[C@H]2CO)CC1 ZINC000215864473 548674397 /nfs/dbraw/zinc/67/43/97/548674397.db2.gz ULIYXTZXOJTTDC-FQEVSTJZSA-N 2 1 361.530 2.050 50 0 FEAAMP CN1CC[NH+](CCOc2ccccc2C[N@@H+]2CCCCC[C@H]2CO)CC1 ZINC000215864473 548674402 /nfs/dbraw/zinc/67/44/02/548674402.db2.gz ULIYXTZXOJTTDC-FQEVSTJZSA-N 2 1 361.530 2.050 50 0 FEAAMP CN1CC[NH+](CCC(=O)N2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)CC1 ZINC000219726396 548696629 /nfs/dbraw/zinc/69/66/29/548696629.db2.gz HKNIKSUWJSYTIT-HXUWFJFHSA-N 2 1 358.530 2.049 50 0 FEAAMP Cc1nnc([C@H]2CC3(C[N@@H+]2CCO)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000257190089 549714444 /nfs/dbraw/zinc/71/44/44/549714444.db2.gz LEGKLZXCTWEYTR-GOSISDBHSA-N 2 1 356.470 2.400 50 0 FEAAMP Cc1nnc([C@H]2CC3(C[N@H+]2CCO)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000257190089 549714445 /nfs/dbraw/zinc/71/44/45/549714445.db2.gz LEGKLZXCTWEYTR-GOSISDBHSA-N 2 1 356.470 2.400 50 0 FEAAMP O=C(NC[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584894053 571315078 /nfs/dbraw/zinc/31/50/78/571315078.db2.gz SOGVYLAKOGMGSX-KRWDZBQOSA-N 2 1 357.502 2.178 50 0 FEAAMP COc1ccc(C[NH2+]CCSC)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000011844397 669999990 /nfs/dbraw/zinc/99/99/90/669999990.db2.gz YYNPVUFKKUKQQT-MRXNPFEDSA-N 2 1 356.532 2.228 50 0 FEAAMP COCC[N@H+]1C[C@H](CO)C2(C1)CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000169789528 672322529 /nfs/dbraw/zinc/32/25/29/672322529.db2.gz CQIDJGMDQZWCMZ-MRXNPFEDSA-N 2 1 354.441 2.118 50 0 FEAAMP Cc1ncsc1C[NH+]1CCC2(CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000257189611 672898946 /nfs/dbraw/zinc/89/89/46/672898946.db2.gz JEPDEAIBRWSUBY-MRXNPFEDSA-N 2 1 351.516 2.297 50 0 FEAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)Cc1nccn1CC)CC[NH+](C)CC2 ZINC000072479956 541821604 /nfs/dbraw/zinc/82/16/04/541821604.db2.gz FSNDPNLQCCORIL-KRWDZBQOSA-N 2 1 361.534 2.058 50 0 FEAAMP [NH3+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3ccc4cccc(F)c4n3)CC[C@H]21 ZINC000072481092 541822790 /nfs/dbraw/zinc/82/27/90/541822790.db2.gz KNZWNJPIVDQICA-MAUKXSAKSA-N 2 1 356.445 2.146 50 0 FEAAMP O[C@H]1[C@H]([NH+]2CCC([NH+]3CCCC3)CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000019794351 211255370 /nfs/dbraw/zinc/25/53/70/211255370.db2.gz PQEJSFWDCNQKCV-RTWAWAEBSA-N 3 1 355.526 2.284 50 0 FEAAMP CN(C)c1cncc(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)n1 ZINC000095357827 132207615 /nfs/dbraw/zinc/20/76/15/132207615.db2.gz YTIFQWZPKDTSOH-INIZCTEOSA-N 2 1 357.506 2.075 50 0 FEAAMP CCn1c(Cn2cccn2)nnc1C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000091444501 542807934 /nfs/dbraw/zinc/80/79/34/542807934.db2.gz FTCCBTRUHSADOK-UHFFFAOYSA-N 2 1 371.533 2.207 50 0 FEAAMP CN(CC[NH+](C)C)C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@@H]1CO ZINC000091860463 542829044 /nfs/dbraw/zinc/82/90/44/542829044.db2.gz PARPIICOFNBXCU-HZPDHXFCSA-N 2 1 357.901 2.013 50 0 FEAAMP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4[nH]ccc4c3)C[C@H]2CCCO)CC1 ZINC000091973696 542834652 /nfs/dbraw/zinc/83/46/52/542834652.db2.gz CUXONFGLCYVUTF-IRLDBZIGSA-N 2 1 370.541 2.378 50 0 FEAAMP Cc1ccc([C@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)[NH+](C)C)cc1 ZINC000095374425 221877507 /nfs/dbraw/zinc/87/75/07/221877507.db2.gz BTRUFSZPBWFMEF-HXUWFJFHSA-N 2 1 359.514 2.169 50 0 FEAAMP CSCCC[NH+]1CCC2(CC1)CC[N@H+](Cc1nc(C)c[nH]1)C[C@H]2CO ZINC000097815461 525446589 /nfs/dbraw/zinc/44/65/89/525446589.db2.gz GEQPZZLSLISCMM-KRWDZBQOSA-N 2 1 366.575 2.368 50 0 FEAAMP CSCCC[NH+]1CCC2(CC1)CC[N@@H+](Cc1nc(C)c[nH]1)C[C@H]2CO ZINC000097815461 525446593 /nfs/dbraw/zinc/44/65/93/525446593.db2.gz GEQPZZLSLISCMM-KRWDZBQOSA-N 2 1 366.575 2.368 50 0 FEAAMP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)cc(N2CC[NH+](C)CC2)c1 ZINC000252489630 549668529 /nfs/dbraw/zinc/66/85/29/549668529.db2.gz JVDNKWISBBCWSS-QGZVFWFLSA-N 2 1 359.518 2.210 50 0 FEAAMP COc1ccccc1[C@@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)[NH+](C)C ZINC000888102078 688546308 /nfs/dbraw/zinc/54/63/08/688546308.db2.gz YEVKQBFWYZJQSD-OAHLLOKOSA-N 2 1 359.495 2.435 50 0 FEAAMP CCc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)on1 ZINC000011817240 539536379 /nfs/dbraw/zinc/53/63/79/539536379.db2.gz NCZNPASLEPLDAX-INIZCTEOSA-N 2 1 362.518 2.438 50 0 FEAAMP COCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000299769391 210017780 /nfs/dbraw/zinc/01/77/80/210017780.db2.gz MUUIZHQZNKWOEX-OAQYLSRUSA-N 2 1 373.541 2.341 50 0 FEAAMP COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000034925614 539978361 /nfs/dbraw/zinc/97/83/61/539978361.db2.gz YQJSNAJIQYBABK-VQTJNVASSA-N 2 1 359.514 2.078 50 0 FEAAMP CN(Cc1cc2n(n1)CCC[NH2+]C2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072168625 541795017 /nfs/dbraw/zinc/79/50/17/541795017.db2.gz KYTMRMXKWBUWQX-IBGZPJMESA-N 2 1 353.514 2.330 50 0 FEAAMP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+]([C@H]3CCCOC3)CC2)OC1=O ZINC000072423377 541810013 /nfs/dbraw/zinc/81/00/13/541810013.db2.gz MJPPZSOFMZXLLO-SFHVURJKSA-N 2 1 367.534 2.430 50 0 FEAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)CO)CC2)CC1 ZINC000012711286 220020082 /nfs/dbraw/zinc/02/00/82/220020082.db2.gz ROUKMVNZMJAYJK-GOSISDBHSA-N 2 1 373.541 2.168 50 0 FEAAMP C[NH+]1CCN(c2nnc(-n3cccc3C[NH+]3CCCCCC3)s2)CC1 ZINC000015861004 211146985 /nfs/dbraw/zinc/14/69/85/211146985.db2.gz WIIGAQWOSCHWAM-UHFFFAOYSA-N 2 1 360.531 2.457 50 0 FEAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH+]1CCCCC1)C2 ZINC000014532401 211094799 /nfs/dbraw/zinc/09/47/99/211094799.db2.gz LEMGAEYHXKHYPB-QGZVFWFLSA-N 2 1 373.545 2.024 50 0 FEAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3c[nH]nc3C3CCCCC3)CC[C@H]21 ZINC000077406274 542378691 /nfs/dbraw/zinc/37/86/91/542378691.db2.gz NNBSNTQYPIHJMQ-PKOBYXMFSA-N 2 1 373.545 2.490 50 0 FEAAMP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000071750434 221362097 /nfs/dbraw/zinc/36/20/97/221362097.db2.gz CRUQVLVJLKITCX-FQEVSTJZSA-N 2 1 373.541 2.434 50 0 FEAAMP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000071750434 221362099 /nfs/dbraw/zinc/36/20/99/221362099.db2.gz CRUQVLVJLKITCX-FQEVSTJZSA-N 2 1 373.541 2.434 50 0 FEAAMP C[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CC(=O)N3CCOCC3)CC2)C1 ZINC000091694718 542820756 /nfs/dbraw/zinc/82/07/56/542820756.db2.gz HXNXMSHKKMLBBY-FQEVSTJZSA-N 2 1 371.525 2.047 50 0 FEAAMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)C[NH+]2CCCC2)C3)cc1 ZINC000095353620 542957773 /nfs/dbraw/zinc/95/77/73/542957773.db2.gz GKENMVCVMZTKME-RBUKOAKNSA-N 2 1 357.498 2.214 50 0 FEAAMP O=C([C@@H]1CCC[N@@H+](C2CCCC2)C1)N1CC[NH+](CCn2cccc2)CC1 ZINC000095362900 542959888 /nfs/dbraw/zinc/95/98/88/542959888.db2.gz KWSYBFOZMCVONM-LJQANCHMSA-N 2 1 358.530 2.287 50 0 FEAAMP O=C([C@@H]1CCC[N@H+](C2CCCC2)C1)N1CC[NH+](CCn2cccc2)CC1 ZINC000095362900 542959891 /nfs/dbraw/zinc/95/98/91/542959891.db2.gz KWSYBFOZMCVONM-LJQANCHMSA-N 2 1 358.530 2.287 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)n1C ZINC000095391583 542968591 /nfs/dbraw/zinc/96/85/91/542968591.db2.gz VAGKGBRAPUCQCZ-QGZVFWFLSA-N 2 1 365.485 2.451 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccc(C)n3)C2)n1C ZINC000095391583 542968595 /nfs/dbraw/zinc/96/85/95/542968595.db2.gz VAGKGBRAPUCQCZ-QGZVFWFLSA-N 2 1 365.485 2.451 50 0 FEAAMP CN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000095941567 542983622 /nfs/dbraw/zinc/98/36/22/542983622.db2.gz BWCRJRATABFZQV-PMACEKPBSA-N 2 1 360.546 2.212 50 0 FEAAMP CC(C)[N@H+]1CCO[C@@H](CC(=O)NCC[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000097601018 222196692 /nfs/dbraw/zinc/19/66/92/222196692.db2.gz KZNLPJUFSIDOCC-NRFANRHFSA-N 2 1 373.541 2.482 50 0 FEAAMP Cc1[nH+]ccn1CC[C@H](NC(=O)CCN1CCOCC1)c1ccccc1 ZINC000221257022 548704216 /nfs/dbraw/zinc/70/42/16/548704216.db2.gz JXCBMHZEDLXXJP-IBGZPJMESA-N 2 1 356.470 2.161 50 0 FEAAMP COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OCC[NH3+])c1 ZINC000426581325 559738258 /nfs/dbraw/zinc/73/82/58/559738258.db2.gz SPJQIWJUZZTPKU-KRWDZBQOSA-N 2 1 369.465 2.037 50 0 FEAAMP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](O)C1 ZINC000023373509 539712921 /nfs/dbraw/zinc/71/29/21/539712921.db2.gz UVUKYVIQNHGPQL-RTBURBONSA-N 2 1 359.539 2.392 50 0 FEAAMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](O)C1 ZINC000023373509 539712924 /nfs/dbraw/zinc/71/29/24/539712924.db2.gz UVUKYVIQNHGPQL-RTBURBONSA-N 2 1 359.539 2.392 50 0 FEAAMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]1C[NH2+]C[C@@H](COc2cccc(F)c2)C1 ZINC000014535724 220125477 /nfs/dbraw/zinc/12/54/77/220125477.db2.gz QQTUXMYPPDXFIN-LZLYRXPVSA-N 2 1 363.477 2.031 50 0 FEAAMP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)cc1 ZINC000065382173 221207746 /nfs/dbraw/zinc/20/77/46/221207746.db2.gz PSERXMWHNXWPGZ-GOSISDBHSA-N 2 1 359.514 2.095 50 0 FEAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCCn3cccn3)CC2)C1)N1CCCC1 ZINC000071499130 221351016 /nfs/dbraw/zinc/35/10/16/221351016.db2.gz MLVFUKUCDJEGGA-LJQANCHMSA-N 2 1 373.545 2.072 50 0 FEAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](CCCn3cccn3)CC2)C1)N1CCCC1 ZINC000071499130 221351018 /nfs/dbraw/zinc/35/10/18/221351018.db2.gz MLVFUKUCDJEGGA-LJQANCHMSA-N 2 1 373.545 2.072 50 0 FEAAMP CNc1nc(N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)ncc1F ZINC000095379119 132209420 /nfs/dbraw/zinc/20/94/20/132209420.db2.gz NEBOHYNRBDOGAK-UHFFFAOYSA-N 2 1 361.469 2.190 50 0 FEAAMP COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000252528098 132292991 /nfs/dbraw/zinc/29/29/91/132292991.db2.gz FBTCSMXGUSEXQO-GASCZTMLSA-N 2 1 373.526 2.211 50 0 FEAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCCSc2ccc(Cl)cc2)C1 ZINC000096162089 222061523 /nfs/dbraw/zinc/06/15/23/222061523.db2.gz QHRZRDXGIXMEAK-CXAGYDPISA-N 2 1 353.919 2.090 50 0 FEAAMP O[C@@H](Cn1ccc2ccccc21)C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000248071547 549405073 /nfs/dbraw/zinc/40/50/73/549405073.db2.gz YIKVGKGVFYPZHE-RZUBCFFCSA-N 2 1 371.525 2.360 50 0 FEAAMP O=C(NCC[NH+]1CCCCC1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000426490044 559735805 /nfs/dbraw/zinc/73/58/05/559735805.db2.gz JJTKBGCWOFOHHB-UHFFFAOYSA-N 2 1 370.541 2.357 50 0 FEAAMP Cc1[nH+]c(N)ccc1-c1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000426501735 559736105 /nfs/dbraw/zinc/73/61/05/559736105.db2.gz HJLNIEJRKMFEAM-SFHVURJKSA-N 2 1 368.481 2.216 50 0 FEAAMP Cc1[nH+]c(N)ccc1-c1ccc(C(=O)NCCC[N@H+]2CCC[C@H](O)C2)cc1 ZINC000426501735 559736106 /nfs/dbraw/zinc/73/61/06/559736106.db2.gz HJLNIEJRKMFEAM-SFHVURJKSA-N 2 1 368.481 2.216 50 0 FEAAMP O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299763492 223086424 /nfs/dbraw/zinc/08/64/24/223086424.db2.gz NSBBHROQQJHTHJ-LJQANCHMSA-N 2 1 374.529 2.498 50 0 FEAAMP CCCn1ccnc1CNC(=O)[C@H]1CC2(C[N@H+]1CCC)CC[NH+](C)CC2 ZINC000072480235 541821334 /nfs/dbraw/zinc/82/13/34/541821334.db2.gz NETCKOIELTWOHE-QGZVFWFLSA-N 2 1 361.534 2.106 50 0 FEAAMP CC(C)[NH+]1CCC([NH2+]C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000067675481 221268837 /nfs/dbraw/zinc/26/88/37/221268837.db2.gz NDNULVQUNZPLCQ-QFIPXVFZSA-N 2 1 373.541 2.045 50 0 FEAAMP CN(C)c1cc[nH+]c(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)n1 ZINC000095498515 132211936 /nfs/dbraw/zinc/21/19/36/132211936.db2.gz FIBFMMDTNSWBSN-MRXNPFEDSA-N 2 1 357.506 2.075 50 0 FEAAMP COCC[N@@H+](C)C[C@H]1C[C@H](CO)C[NH+](Cc2ccc3ncccc3c2)C1 ZINC000091460867 542808953 /nfs/dbraw/zinc/80/89/53/542808953.db2.gz QIDQPCVTONNJGT-MOPGFXCFSA-N 2 1 357.498 2.243 50 0 FEAAMP COCC[NH+](C)C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000091460867 542808957 /nfs/dbraw/zinc/80/89/57/542808957.db2.gz QIDQPCVTONNJGT-MOPGFXCFSA-N 2 1 357.498 2.243 50 0 FEAAMP COCC[NH+](C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000091460867 542808958 /nfs/dbraw/zinc/80/89/58/542808958.db2.gz QIDQPCVTONNJGT-MOPGFXCFSA-N 2 1 357.498 2.243 50 0 FEAAMP C[NH+](C)CCC(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095372507 542963131 /nfs/dbraw/zinc/96/31/31/542963131.db2.gz UCZXWSZKHMXWFM-CDHQVMDDSA-N 2 1 363.452 2.305 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)n1C ZINC000095384231 542965851 /nfs/dbraw/zinc/96/58/51/542965851.db2.gz YOJWFUHNBWWJHD-QGZVFWFLSA-N 2 1 366.469 2.454 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)n1C ZINC000095384231 542965854 /nfs/dbraw/zinc/96/58/54/542965854.db2.gz YOJWFUHNBWWJHD-QGZVFWFLSA-N 2 1 366.469 2.454 50 0 FEAAMP C[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCCn3cnnn3)CC2)C1 ZINC000096130683 222036313 /nfs/dbraw/zinc/03/63/13/222036313.db2.gz CZVMQVUHBFROFK-IBGZPJMESA-N 2 1 354.502 2.265 50 0 FEAAMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)ccc1F ZINC000091434318 524706329 /nfs/dbraw/zinc/70/63/29/524706329.db2.gz IEDVWOFSTQFTMV-CTNGQTDRSA-N 2 1 363.521 2.345 50 0 FEAAMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)ccc1F ZINC000091434318 524706340 /nfs/dbraw/zinc/70/63/40/524706340.db2.gz IEDVWOFSTQFTMV-CTNGQTDRSA-N 2 1 363.521 2.345 50 0 FEAAMP C[NH+](C)CCOc1ccccc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000216335173 548677657 /nfs/dbraw/zinc/67/76/57/548677657.db2.gz CWHCQDXTWOQAQC-FQEVSTJZSA-N 2 1 361.530 2.314 50 0 FEAAMP Cc1[nH+]ccn1CC1CC[NH+](CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000244723722 548894166 /nfs/dbraw/zinc/89/41/66/548894166.db2.gz MGASKSPFHBOQFT-UHFFFAOYSA-N 2 1 358.461 2.402 50 0 FEAAMP O[C@@H](Cn1ccc2ccccc21)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000248071541 549404673 /nfs/dbraw/zinc/40/46/73/549404673.db2.gz YIKVGKGVFYPZHE-KCZVDYSFSA-N 2 1 371.525 2.360 50 0 FEAAMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H](C)O1 ZINC000262171316 549795011 /nfs/dbraw/zinc/79/50/11/549795011.db2.gz ATFJMLAJHMURQG-DPAMDZCMSA-N 2 1 363.546 2.240 50 0 FEAAMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1 ZINC000685941695 571102034 /nfs/dbraw/zinc/10/20/34/571102034.db2.gz GCFDVQUDFOPZNB-INIZCTEOSA-N 2 1 356.474 2.029 50 0 FEAAMP CC(C)[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000670441590 571348982 /nfs/dbraw/zinc/34/89/82/571348982.db2.gz IVTSSZPSDCYQHC-FQEVSTJZSA-N 2 1 358.530 2.429 50 0 FEAAMP CC(C)[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000670441590 571348983 /nfs/dbraw/zinc/34/89/83/571348983.db2.gz IVTSSZPSDCYQHC-FQEVSTJZSA-N 2 1 358.530 2.429 50 0 FEAAMP COCC[NH+]1CCC(C[N@H+](Cc2cc(C)n[nH]2)Cc2ccncc2)CC1 ZINC000012316516 539554504 /nfs/dbraw/zinc/55/45/04/539554504.db2.gz SLNBOPAWAAVYDQ-UHFFFAOYSA-N 2 1 357.502 2.474 50 0 FEAAMP COCC[NH+]1CCC(C[N@@H+](Cc2cc(C)n[nH]2)Cc2ccncc2)CC1 ZINC000012316516 539554507 /nfs/dbraw/zinc/55/45/07/539554507.db2.gz SLNBOPAWAAVYDQ-UHFFFAOYSA-N 2 1 357.502 2.474 50 0 FEAAMP COCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012452899 539561027 /nfs/dbraw/zinc/56/10/27/539561027.db2.gz AEVBYHATIVZEIW-QGZVFWFLSA-N 2 1 365.493 2.074 50 0 FEAAMP Cc1cccnc1C[N@@H+](C)Cc1ccc(-c2nc(CC[NH3+])cc(=O)[nH]2)cc1 ZINC000023192833 539708436 /nfs/dbraw/zinc/70/84/36/539708436.db2.gz ZOZDNIHWDPGKER-UHFFFAOYSA-N 2 1 363.465 2.274 50 0 FEAAMP O=C1CCCN1Cc1ccccc1C[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063872451 221144725 /nfs/dbraw/zinc/14/47/25/221144725.db2.gz KYDDQPHAYNOULT-IFMALSPDSA-N 2 1 371.525 2.278 50 0 FEAAMP O=C1CCCN1Cc1ccccc1C[NH2+]C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063872451 221144727 /nfs/dbraw/zinc/14/47/27/221144727.db2.gz KYDDQPHAYNOULT-IFMALSPDSA-N 2 1 371.525 2.278 50 0 FEAAMP O=C([C@H]1CCC[N@H+](C2CCCCC2)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000065526023 221229063 /nfs/dbraw/zinc/22/90/63/221229063.db2.gz XUFIXVQSEZFBNC-SFHVURJKSA-N 2 1 363.546 2.354 50 0 FEAAMP C[N@H+]1CCC[C@@H]1CCn1nc(C2CC[NH2+]CC2)n(Cc2ccccc2)c1=O ZINC000067908377 221304644 /nfs/dbraw/zinc/30/46/44/221304644.db2.gz MOWZTDGQWGHARO-LJQANCHMSA-N 2 1 369.513 2.044 50 0 FEAAMP COc1ccc(CN2CCC[N@@H+](C)CCN(C)CCC[NH+](C)CC2)cc1 ZINC000068604346 221317303 /nfs/dbraw/zinc/31/73/03/221317303.db2.gz VFVSRQPFRJDKNI-UHFFFAOYSA-N 2 1 362.562 2.086 50 0 FEAAMP COc1ccc(CN2CCC[NH+](C)CCN(C)CCC[N@H+](C)CC2)cc1 ZINC000068604346 221317307 /nfs/dbraw/zinc/31/73/07/221317307.db2.gz VFVSRQPFRJDKNI-UHFFFAOYSA-N 2 1 362.562 2.086 50 0 FEAAMP COc1ccc(CN2CCC[NH+](C)CCN(C)CCC[N@@H+](C)CC2)cc1 ZINC000068604346 221317309 /nfs/dbraw/zinc/31/73/09/221317309.db2.gz VFVSRQPFRJDKNI-UHFFFAOYSA-N 2 1 362.562 2.086 50 0 FEAAMP COc1ccc(C[N@@H+]2CCCN(C)CC[NH+](C)CCCN(C)CC2)cc1 ZINC000068604346 221317311 /nfs/dbraw/zinc/31/73/11/221317311.db2.gz VFVSRQPFRJDKNI-UHFFFAOYSA-N 2 1 362.562 2.086 50 0 FEAAMP COc1ccc(C[N@H+]2CCCN(C)CC[NH+](C)CCCN(C)CC2)cc1 ZINC000068604346 221317314 /nfs/dbraw/zinc/31/73/14/221317314.db2.gz VFVSRQPFRJDKNI-UHFFFAOYSA-N 2 1 362.562 2.086 50 0 FEAAMP COc1ccc(C[NH+]2CCCN(C)CC[N@H+](C)CCCN(C)CC2)cc1 ZINC000068604346 221317317 /nfs/dbraw/zinc/31/73/17/221317317.db2.gz VFVSRQPFRJDKNI-UHFFFAOYSA-N 2 1 362.562 2.086 50 0 FEAAMP COc1ccc(C[NH+]2CCCN(C)CC[N@@H+](C)CCCN(C)CC2)cc1 ZINC000068604346 221317321 /nfs/dbraw/zinc/31/73/21/221317321.db2.gz VFVSRQPFRJDKNI-UHFFFAOYSA-N 2 1 362.562 2.086 50 0 FEAAMP Cc1[nH+]ccn1CCCn1nc([C@@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000071497752 221350292 /nfs/dbraw/zinc/35/02/92/221350292.db2.gz VSCRJJMQNGGGPA-QGZVFWFLSA-N 2 1 366.469 2.096 50 0 FEAAMP CSCC[NH+]1CCN(C(=O)C2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000299800816 533581736 /nfs/dbraw/zinc/58/17/36/533581736.db2.gz VTCXDHNQSJVZMU-UHFFFAOYSA-N 2 1 361.555 2.157 50 0 FEAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](C3CCCCC3)CC2)C1)N1CCOCC1 ZINC000082099611 542683065 /nfs/dbraw/zinc/68/30/65/542683065.db2.gz ABOAAIOKNDXXNK-GOSISDBHSA-N 2 1 363.546 2.354 50 0 FEAAMP CO[C@@H]1CCC[N@H+](C2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)C1 ZINC000095392396 132210842 /nfs/dbraw/zinc/21/08/42/132210842.db2.gz IDRLPSYPLHUQJJ-GOSISDBHSA-N 2 1 359.518 2.465 50 0 FEAAMP COc1ccc(F)c(C[N@@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1 ZINC000091872822 542830505 /nfs/dbraw/zinc/83/05/05/542830505.db2.gz WHTKRACTNMAVSL-HXUWFJFHSA-N 2 1 366.477 2.130 50 0 FEAAMP COc1ccc(F)c(C[N@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1 ZINC000091872822 542830507 /nfs/dbraw/zinc/83/05/07/542830507.db2.gz WHTKRACTNMAVSL-HXUWFJFHSA-N 2 1 366.477 2.130 50 0 FEAAMP C[NH+](C)[C@@H](C(=O)NCCCOC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000095382837 542965428 /nfs/dbraw/zinc/96/54/28/542965428.db2.gz FQRIMVDOGSRGJM-GOSISDBHSA-N 2 1 351.466 2.046 50 0 FEAAMP CC(C)c1[nH+]ccn1[C@H](C)c1nc(CC2CC[NH+](C)CC2)nn1CCO ZINC000096136630 222041624 /nfs/dbraw/zinc/04/16/24/222041624.db2.gz RRWNDHBCEBEWPA-OAHLLOKOSA-N 2 1 360.506 2.084 50 0 FEAAMP CSc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](CCO)C2)cc1 ZINC000104433971 222358367 /nfs/dbraw/zinc/35/83/67/222358367.db2.gz KTRJJAUJBOFKIP-LJQANCHMSA-N 2 1 363.571 2.371 50 0 FEAAMP CCOc1cc(C[N@H+]2CCC(=O)NC[C@@H]2C)ccc1OCCn1ccnc1 ZINC000215929484 548674322 /nfs/dbraw/zinc/67/43/22/548674322.db2.gz BVDQGCGQAJTLIL-INIZCTEOSA-N 2 1 372.469 2.071 50 0 FEAAMP CCOc1cc(CN2CCC(=O)NC[C@@H]2C)ccc1OCCn1ccnc1 ZINC000215929484 548674326 /nfs/dbraw/zinc/67/43/26/548674326.db2.gz BVDQGCGQAJTLIL-INIZCTEOSA-N 2 1 372.469 2.071 50 0 FEAAMP CC[NH+](C)C[C@@H]1CCN(c2nccnc2N2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000222208799 568504216 /nfs/dbraw/zinc/50/42/16/568504216.db2.gz MTFBSGFRQJBXLS-ROUUACIJSA-N 2 1 360.550 2.033 50 0 FEAAMP Cc1ccc(O)c(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)n1 ZINC000108420620 570905973 /nfs/dbraw/zinc/90/59/73/570905973.db2.gz ZZBVUBCPLANJFO-GOSISDBHSA-N 2 1 368.481 2.083 50 0 FEAAMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@]1(O)CC[NH2+]C1)C1CCCCC1 ZINC000299788307 530003272 /nfs/dbraw/zinc/00/32/72/530003272.db2.gz WLGYEWCBTAPKSL-FQEVSTJZSA-N 2 1 360.502 2.297 50 0 FEAAMP C[N@H+](Cc1cn(C2CCN(c3cc[nH+]c(N)n3)CC2)nn1)C1CCCCC1 ZINC000023130125 539706967 /nfs/dbraw/zinc/70/69/67/539706967.db2.gz JWYJQQPNUYRBQE-UHFFFAOYSA-N 2 1 370.505 2.256 50 0 FEAAMP C[N@@H+](Cc1cn(C2CCN(c3cc[nH+]c(N)n3)CC2)nn1)C1CCCCC1 ZINC000023130125 539706970 /nfs/dbraw/zinc/70/69/70/539706970.db2.gz JWYJQQPNUYRBQE-UHFFFAOYSA-N 2 1 370.505 2.256 50 0 FEAAMP Cc1[nH+]ccn1C1(C(=O)[O-])CC[NH+](Cc2cccc(C[NH+](C)C)c2)CC1 ZINC000072467875 541817733 /nfs/dbraw/zinc/81/77/33/541817733.db2.gz KMHUHWPAGARGKK-UHFFFAOYSA-N 2 1 356.470 2.329 50 0 FEAAMP C[NH+]1CCC(Nc2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000015069322 220144466 /nfs/dbraw/zinc/14/44/66/220144466.db2.gz SNTKAFWIJIMSED-SFHVURJKSA-N 2 1 359.518 2.192 50 0 FEAAMP C[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccnc1)[NH2+][C@]2(CO)Cc1c[nH]c2ccccc12 ZINC000067805198 221288164 /nfs/dbraw/zinc/28/81/64/221288164.db2.gz GYBZTSUJOKXSCH-KIZRIRGWSA-N 2 1 362.477 2.359 50 0 FEAAMP C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccnc1)[NH2+][C@]2(CO)Cc1c[nH]c2ccccc12 ZINC000067805198 221288167 /nfs/dbraw/zinc/28/81/67/221288167.db2.gz GYBZTSUJOKXSCH-KIZRIRGWSA-N 2 1 362.477 2.359 50 0 FEAAMP O=C(NCCF)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071748833 221360944 /nfs/dbraw/zinc/36/09/44/221360944.db2.gz UUALUXQVRWPCPW-IBGZPJMESA-N 2 1 361.505 2.491 50 0 FEAAMP O=C(NCCF)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071748833 221360946 /nfs/dbraw/zinc/36/09/46/221360946.db2.gz UUALUXQVRWPCPW-IBGZPJMESA-N 2 1 361.505 2.491 50 0 FEAAMP Cc1cc(N2CCC([NH2+]CCNc3cc[nH+]cc3C)CC2)nc(N(C)C)n1 ZINC000095510656 132213190 /nfs/dbraw/zinc/21/31/90/132213190.db2.gz CAWYPVGINDLNOP-UHFFFAOYSA-N 2 1 369.517 2.225 50 0 FEAAMP COc1ccc(F)c(C[N@@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1 ZINC000091872819 542830145 /nfs/dbraw/zinc/83/01/45/542830145.db2.gz WHTKRACTNMAVSL-FQEVSTJZSA-N 2 1 366.477 2.130 50 0 FEAAMP COc1ccc(F)c(C[N@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1 ZINC000091872819 542830149 /nfs/dbraw/zinc/83/01/49/542830149.db2.gz WHTKRACTNMAVSL-FQEVSTJZSA-N 2 1 366.477 2.130 50 0 FEAAMP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3c(F)cccc3Cl)C[C@@H]2CO)CC1 ZINC000091998069 542835802 /nfs/dbraw/zinc/83/58/02/542835802.db2.gz OMMSJEPHVBNLNI-HZPDHXFCSA-N 2 1 369.912 2.157 50 0 FEAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3c(F)cccc3Cl)C[C@@H]2CO)CC1 ZINC000091998069 542835806 /nfs/dbraw/zinc/83/58/06/542835806.db2.gz OMMSJEPHVBNLNI-HZPDHXFCSA-N 2 1 369.912 2.157 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@@H]2CO)CC1 ZINC000091998069 542835807 /nfs/dbraw/zinc/83/58/07/542835807.db2.gz OMMSJEPHVBNLNI-HZPDHXFCSA-N 2 1 369.912 2.157 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@@H]2CO)CC1 ZINC000091998069 542835810 /nfs/dbraw/zinc/83/58/10/542835810.db2.gz OMMSJEPHVBNLNI-HZPDHXFCSA-N 2 1 369.912 2.157 50 0 FEAAMP C[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@H+]3CCCC3(C)C)cc2)CC1 ZINC000095526623 542980864 /nfs/dbraw/zinc/98/08/64/542980864.db2.gz SHKAVZIXSLSBRI-LJQANCHMSA-N 2 1 361.530 2.048 50 0 FEAAMP CN1CC[NH+](C[C@@H](O)COc2ccc(C[N@@H+]3CCCC3(C)C)cc2)CC1 ZINC000095526623 542980869 /nfs/dbraw/zinc/98/08/69/542980869.db2.gz SHKAVZIXSLSBRI-LJQANCHMSA-N 2 1 361.530 2.048 50 0 FEAAMP CN1CC[NH+](C[C@@H](O)COc2ccc(C[N@H+]3CCCC3(C)C)cc2)CC1 ZINC000095526623 542980872 /nfs/dbraw/zinc/98/08/72/542980872.db2.gz SHKAVZIXSLSBRI-LJQANCHMSA-N 2 1 361.530 2.048 50 0 FEAAMP CCc1cc(N2CCC([NH2+]C[C@H](O)c3cccc(O)c3)CC2)nc(C)[nH+]1 ZINC000096162872 542994255 /nfs/dbraw/zinc/99/42/55/542994255.db2.gz UGAQAGVIUNGSDT-IBGZPJMESA-N 2 1 356.470 2.345 50 0 FEAAMP CNC(=O)C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000095517064 221941473 /nfs/dbraw/zinc/94/14/73/221941473.db2.gz NTFMNFGMKZWSSC-OAQYLSRUSA-N 2 1 373.541 2.434 50 0 FEAAMP CC(C)CC[N@H+]1CCN(C2CC[NH+](Cc3ccccn3)CC2)C[C@H]1CCO ZINC000106730418 222388422 /nfs/dbraw/zinc/38/84/22/222388422.db2.gz RTQRABKJOMGXRL-JOCHJYFZSA-N 2 1 374.573 2.461 50 0 FEAAMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)C1 ZINC000155435873 545525858 /nfs/dbraw/zinc/52/58/58/545525858.db2.gz CFWUIOFAGVXHEG-LSTHTHJFSA-N 2 1 359.514 2.029 50 0 FEAAMP O[C@@H]1C[C@H]2C[N@H+](Cc3ccccc3OCC[NH+]3CCCCC3)C[C@H]2C[C@@H]1O ZINC000215676775 548672478 /nfs/dbraw/zinc/67/24/78/548672478.db2.gz JUNFSELWZCRPLJ-UJOPUZHASA-N 2 1 374.525 2.115 50 0 FEAAMP Cc1[nH+]ccn1CC[C@@H](NC(=O)CCN1CCOCC1)c1ccccc1 ZINC000221257083 548703720 /nfs/dbraw/zinc/70/37/20/548703720.db2.gz JXCBMHZEDLXXJP-LJQANCHMSA-N 2 1 356.470 2.161 50 0 FEAAMP O=C1[C@H](N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CCN1c1c(F)cccc1F ZINC000252569085 549674844 /nfs/dbraw/zinc/67/48/44/549674844.db2.gz VYQAIBMJIACFCN-DFEHZGFQSA-N 2 1 361.436 2.486 50 0 FEAAMP C[NH+]1CCC([N@@H+]2C[C@H](COCc3ccncc3)C3(C2)CCOCC3)CC1 ZINC000409420260 558690925 /nfs/dbraw/zinc/69/09/25/558690925.db2.gz SSMXKRAPAPQZOG-LJQANCHMSA-N 2 1 359.514 2.421 50 0 FEAAMP C[NH+]1CCC([N@H+]2C[C@H](COCc3ccncc3)C3(C2)CCOCC3)CC1 ZINC000409420260 558690927 /nfs/dbraw/zinc/69/09/27/558690927.db2.gz SSMXKRAPAPQZOG-LJQANCHMSA-N 2 1 359.514 2.421 50 0 FEAAMP CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1ccc(-c2ccc(C)[nH+]c2N)cc1 ZINC000426667619 559739901 /nfs/dbraw/zinc/73/99/01/559739901.db2.gz SLQAKOCIMDCRRE-OALUTQOASA-N 2 1 368.481 2.477 50 0 FEAAMP CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1ccc(-c2ccc(C)[nH+]c2N)cc1 ZINC000426667619 559739902 /nfs/dbraw/zinc/73/99/02/559739902.db2.gz SLQAKOCIMDCRRE-OALUTQOASA-N 2 1 368.481 2.477 50 0 FEAAMP COc1cc(C[NH2+]CC(C)(C)OC)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000011812715 539535366 /nfs/dbraw/zinc/53/53/66/539535366.db2.gz PACPSAKYVUBCHH-QGZVFWFLSA-N 2 1 368.518 2.290 50 0 FEAAMP COc1ccccc1N1CC[NH+]([C@H]2CCCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000020256905 539673282 /nfs/dbraw/zinc/67/32/82/539673282.db2.gz XTJNADRCIKHDHR-FQEVSTJZSA-N 2 1 372.557 2.376 50 0 FEAAMP C[C@@H](Cc1ccc2c(c1)OCO2)c1[nH+]ccn1CC1(O)CC[NH+](C)CC1 ZINC000072147516 541788778 /nfs/dbraw/zinc/78/87/78/541788778.db2.gz SRZPBJVADGEXQT-HNNXBMFYSA-N 2 1 357.454 2.415 50 0 FEAAMP Cc1nc2cc(C)ccn2c1C(=O)N1CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC000072150387 541789986 /nfs/dbraw/zinc/78/99/86/541789986.db2.gz FCRSAAXNWBPIAD-SFHVURJKSA-N 2 1 371.529 2.439 50 0 FEAAMP Cc1nc2cc(C)ccn2c1C(=O)N1CCC[C@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC000072150387 541789990 /nfs/dbraw/zinc/78/99/90/541789990.db2.gz FCRSAAXNWBPIAD-SFHVURJKSA-N 2 1 371.529 2.439 50 0 FEAAMP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)c2ccc(F)cc21 ZINC000072431000 541812844 /nfs/dbraw/zinc/81/28/44/541812844.db2.gz FFXRNZZDABEMRA-KBXCAEBGSA-N 2 1 358.461 2.089 50 0 FEAAMP c1cn(CC[N@H+]2CC[C@H](c3ccccc3)C2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072435180 541813534 /nfs/dbraw/zinc/81/35/34/541813534.db2.gz XDZRQTPQKARINO-SFHVURJKSA-N 2 1 362.481 2.339 50 0 FEAAMP CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)C[NH+](C)C ZINC000014960476 220136802 /nfs/dbraw/zinc/13/68/02/220136802.db2.gz VOLVGVYEFKXNKJ-IBGZPJMESA-N 2 1 361.530 2.360 50 0 FEAAMP CC(C)(CO)NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071404017 221345042 /nfs/dbraw/zinc/34/50/42/221345042.db2.gz CKMWKWSJJXTGAU-LJQANCHMSA-N 2 1 373.541 2.250 50 0 FEAAMP CC(C)(CO)NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071404017 221345044 /nfs/dbraw/zinc/34/50/44/221345044.db2.gz CKMWKWSJJXTGAU-LJQANCHMSA-N 2 1 373.541 2.250 50 0 FEAAMP Cc1ccc([C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)[NH+](C)C)cc1 ZINC000095374424 542963499 /nfs/dbraw/zinc/96/34/99/542963499.db2.gz BTRUFSZPBWFMEF-FQEVSTJZSA-N 2 1 359.514 2.169 50 0 FEAAMP C[NH+](C)[C@@H]1CCCN(c2ncnc3c2CC[N@@H+](Cc2ccco2)CC3)C1 ZINC000072454148 136148527 /nfs/dbraw/zinc/14/85/27/136148527.db2.gz AUABMFVOOKKUSB-MRXNPFEDSA-N 2 1 355.486 2.201 50 0 FEAAMP C[NH+]1CCN(C[C@H](O)COc2ccc(C[N@H+]3CCCC3(C)C)cc2)CC1 ZINC000095526624 542980848 /nfs/dbraw/zinc/98/08/48/542980848.db2.gz SHKAVZIXSLSBRI-IBGZPJMESA-N 2 1 361.530 2.048 50 0 FEAAMP CN1CC[NH+](C[C@H](O)COc2ccc(C[N@@H+]3CCCC3(C)C)cc2)CC1 ZINC000095526624 542980855 /nfs/dbraw/zinc/98/08/55/542980855.db2.gz SHKAVZIXSLSBRI-IBGZPJMESA-N 2 1 361.530 2.048 50 0 FEAAMP CN1CC[NH+](C[C@H](O)COc2ccc(C[N@H+]3CCCC3(C)C)cc2)CC1 ZINC000095526624 542980858 /nfs/dbraw/zinc/98/08/58/542980858.db2.gz SHKAVZIXSLSBRI-IBGZPJMESA-N 2 1 361.530 2.048 50 0 FEAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc(O)c3)C[C@@H]2CCO)CC1 ZINC000019795046 519670093 /nfs/dbraw/zinc/67/00/93/519670093.db2.gz RTFYCRHMUHXZOB-FQEVSTJZSA-N 2 1 361.530 2.134 50 0 FEAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc(O)c3)C[C@@H]2CCO)CC1 ZINC000019795046 519670097 /nfs/dbraw/zinc/67/00/97/519670097.db2.gz RTFYCRHMUHXZOB-FQEVSTJZSA-N 2 1 361.530 2.134 50 0 FEAAMP C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2ccc(C[NH+](C)C)o2)CC1 ZINC000091289529 521821994 /nfs/dbraw/zinc/82/19/94/521821994.db2.gz QJQGPLDSTUQIHG-UHFFFAOYSA-N 2 1 373.501 2.119 50 0 FEAAMP CCc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1c(C)noc1C)C2 ZINC000091664589 522579543 /nfs/dbraw/zinc/57/95/43/522579543.db2.gz UXCLBTCUMJMLGA-DLBZAZTESA-N 2 1 371.485 2.173 50 0 FEAAMP CCc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1c(C)noc1C)C2 ZINC000091664589 522579547 /nfs/dbraw/zinc/57/95/47/522579547.db2.gz UXCLBTCUMJMLGA-DLBZAZTESA-N 2 1 371.485 2.173 50 0 FEAAMP Cn1nc([C@H]2CCC[N@@H+](C[C@H]3CC[C@@H]([NH3+])CC3)C2)n(-c2ccccc2)c1=O ZINC000244678742 527558328 /nfs/dbraw/zinc/55/83/28/527558328.db2.gz IJBMCZWOQINHIX-OKZBNKHCSA-N 2 1 369.513 2.268 50 0 FEAAMP CO[C@@H]1CC[N@H+](C2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)C1 ZINC000095531686 536678509 /nfs/dbraw/zinc/67/85/09/536678509.db2.gz BWEOOQNIOHFHJP-GOSISDBHSA-N 2 1 359.518 2.465 50 0 FEAAMP CC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000426394479 571219145 /nfs/dbraw/zinc/21/91/45/571219145.db2.gz DTMZQRBUUKCEDJ-FQEVSTJZSA-N 2 1 358.530 2.288 50 0 FEAAMP CC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000426394479 571219147 /nfs/dbraw/zinc/21/91/47/571219147.db2.gz DTMZQRBUUKCEDJ-FQEVSTJZSA-N 2 1 358.530 2.288 50 0 FEAAMP CCOC(=O)N1CCC([N@@H+]2CC[C@@]3(C2)CCC[NH+](CCOC)C3)CC1 ZINC000055226915 670347858 /nfs/dbraw/zinc/34/78/58/670347858.db2.gz OCRSOYLYCDTBQU-IBGZPJMESA-N 2 1 353.507 2.042 50 0 FEAAMP CCOC(=O)N1CCC([N@H+]2CC[C@@]3(C2)CCC[NH+](CCOC)C3)CC1 ZINC000055226915 670347862 /nfs/dbraw/zinc/34/78/62/670347862.db2.gz OCRSOYLYCDTBQU-IBGZPJMESA-N 2 1 353.507 2.042 50 0 FEAAMP CCOC(=O)N1CCC([NH+]2CC[C@@]3(C2)CCC[N@H+](CCOC)C3)CC1 ZINC000055226915 670347865 /nfs/dbraw/zinc/34/78/65/670347865.db2.gz OCRSOYLYCDTBQU-IBGZPJMESA-N 2 1 353.507 2.042 50 0 FEAAMP CCOC(=O)N1CCC([NH+]2CC[C@@]3(C2)CCC[N@@H+](CCOC)C3)CC1 ZINC000055226915 670347869 /nfs/dbraw/zinc/34/78/69/670347869.db2.gz OCRSOYLYCDTBQU-IBGZPJMESA-N 2 1 353.507 2.042 50 0 FEAAMP CN1CC[NH+](C(C)(C)CNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000952968857 681793203 /nfs/dbraw/zinc/79/32/03/681793203.db2.gz OJIUGVDSYZOUKF-UHFFFAOYSA-N 2 1 352.567 2.076 50 0 FEAAMP COc1cc(C[NH2+]CC(C)(C)OC)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000011812714 539534851 /nfs/dbraw/zinc/53/48/51/539534851.db2.gz PACPSAKYVUBCHH-KRWDZBQOSA-N 2 1 368.518 2.290 50 0 FEAAMP CCC[NH+]1CCN(c2ccc(C(=O)NCC[C@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000012591347 539566938 /nfs/dbraw/zinc/56/69/38/539566938.db2.gz JOAZFEBTFDOCKB-LJQANCHMSA-N 2 1 373.545 2.218 50 0 FEAAMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](Cn2cc(C[NH3+])nn2)C1 ZINC000023506049 539715453 /nfs/dbraw/zinc/71/54/53/539715453.db2.gz LMGGDFZVPCFTEC-QGZVFWFLSA-N 2 1 365.485 2.143 50 0 FEAAMP Cc1[nH+]ccn1CC[C@H](NC(=O)CN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000299765486 223086402 /nfs/dbraw/zinc/08/64/02/223086402.db2.gz BIRYZQACGSZIBP-FQEVSTJZSA-N 2 1 369.513 2.077 50 0 FEAAMP Cc1[nH+]ccn1CC[C@H](NC(=O)CN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000299765486 223086405 /nfs/dbraw/zinc/08/64/05/223086405.db2.gz BIRYZQACGSZIBP-FQEVSTJZSA-N 2 1 369.513 2.077 50 0 FEAAMP CN(Cc1cc2n(n1)CCC[NH2+]C2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072168626 541795033 /nfs/dbraw/zinc/79/50/33/541795033.db2.gz KYTMRMXKWBUWQX-LJQANCHMSA-N 2 1 353.514 2.330 50 0 FEAAMP Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC000072410374 541807225 /nfs/dbraw/zinc/80/72/25/541807225.db2.gz MISKXIFFCODPTK-GOSISDBHSA-N 2 1 374.577 2.322 50 0 FEAAMP COc1ccc(-n2ccnc2C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)cc1 ZINC000067642101 221265553 /nfs/dbraw/zinc/26/55/53/221265553.db2.gz VXLNLXPJAHWBHJ-UHFFFAOYSA-N 2 1 369.513 2.093 50 0 FEAAMP COc1ccc(-n2ccnc2C[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)cc1 ZINC000067642101 221265555 /nfs/dbraw/zinc/26/55/55/221265555.db2.gz VXLNLXPJAHWBHJ-UHFFFAOYSA-N 2 1 369.513 2.093 50 0 FEAAMP CSc1cccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)c1 ZINC000091738582 542822915 /nfs/dbraw/zinc/82/29/15/542822915.db2.gz BUCDHLDTTAZYJI-RTBURBONSA-N 2 1 364.555 2.153 50 0 FEAAMP CSc1cccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)c1 ZINC000091738582 542822919 /nfs/dbraw/zinc/82/29/19/542822919.db2.gz BUCDHLDTTAZYJI-RTBURBONSA-N 2 1 364.555 2.153 50 0 FEAAMP Cc1cc(C)c2[nH]c(C[NH2+]CCC[N@@H+]3CCC[C@@H](CO)C3)cc(=O)c2c1 ZINC000091745534 542823040 /nfs/dbraw/zinc/82/30/40/542823040.db2.gz MIOZOFNQMGJPHO-QGZVFWFLSA-N 2 1 357.498 2.329 50 0 FEAAMP Cc1cc(C)c2[nH]c(C[NH2+]CCC[N@H+]3CCC[C@@H](CO)C3)cc(=O)c2c1 ZINC000091745534 542823044 /nfs/dbraw/zinc/82/30/44/542823044.db2.gz MIOZOFNQMGJPHO-QGZVFWFLSA-N 2 1 357.498 2.329 50 0 FEAAMP Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095526341 542981295 /nfs/dbraw/zinc/98/12/95/542981295.db2.gz IJMYXIAXVVPZOQ-SFHVURJKSA-N 2 1 372.517 2.136 50 0 FEAAMP C[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCCn3cnnn3)CC2)C1 ZINC000096130682 222037273 /nfs/dbraw/zinc/03/72/73/222037273.db2.gz CZVMQVUHBFROFK-LJQANCHMSA-N 2 1 354.502 2.265 50 0 FEAAMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000097102807 222160355 /nfs/dbraw/zinc/16/03/55/222160355.db2.gz LGNGBKBOJAFUNM-UHFFFAOYSA-N 2 1 363.502 2.113 50 0 FEAAMP CN1C[C@@H](C[N@@H+](C)Cc2ccccc2OCC[NH+]2CCCCC2)CC1=O ZINC000215760276 548672985 /nfs/dbraw/zinc/67/29/85/548672985.db2.gz UBBWMYGNWBAEBK-GOSISDBHSA-N 2 1 359.514 2.461 50 0 FEAAMP CC(C)[N@H+]1CC[C@H](CN(C)Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215818199 548674530 /nfs/dbraw/zinc/67/45/30/548674530.db2.gz ILDUDZWIBHMTAA-OAHLLOKOSA-N 2 1 353.894 2.366 50 0 FEAAMP CC(C)[N@@H+]1CC[C@H](C[NH+](C)Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215818199 548674534 /nfs/dbraw/zinc/67/45/34/548674534.db2.gz ILDUDZWIBHMTAA-OAHLLOKOSA-N 2 1 353.894 2.366 50 0 FEAAMP CC(C)[N@H+]1CC[C@H](C[NH+](C)Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215818199 548674541 /nfs/dbraw/zinc/67/45/41/548674541.db2.gz ILDUDZWIBHMTAA-OAHLLOKOSA-N 2 1 353.894 2.366 50 0 FEAAMP CC(C)[NH+]1CC[C@H](C[N@H+](C)Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215818199 548674545 /nfs/dbraw/zinc/67/45/45/548674545.db2.gz ILDUDZWIBHMTAA-OAHLLOKOSA-N 2 1 353.894 2.366 50 0 FEAAMP CC(C)[NH+]1CC[C@H](C[N@@H+](C)Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215818199 548674551 /nfs/dbraw/zinc/67/45/51/548674551.db2.gz ILDUDZWIBHMTAA-OAHLLOKOSA-N 2 1 353.894 2.366 50 0 FEAAMP CN1CC[NH+](CCCOc2ccccc2CN2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000216073789 548676195 /nfs/dbraw/zinc/67/61/95/548676195.db2.gz VQZQSVSPYYEGEM-NRFANRHFSA-N 2 1 374.573 2.229 50 0 FEAAMP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000229407780 548755258 /nfs/dbraw/zinc/75/52/58/548755258.db2.gz CFVLQHHLWALZAP-KURKYZTESA-N 2 1 351.535 2.257 50 0 FEAAMP CC(C)n1cc[nH+]c1C1CCN(Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)CC1 ZINC000243901849 548890035 /nfs/dbraw/zinc/89/00/35/548890035.db2.gz BEUPEYZJGYCHPU-WKILWMFISA-N 2 1 357.506 2.177 50 0 FEAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc(O)c3)C[C@H]2CCO)CC1 ZINC000104637843 570860523 /nfs/dbraw/zinc/86/05/23/570860523.db2.gz RTFYCRHMUHXZOB-HXUWFJFHSA-N 2 1 361.530 2.134 50 0 FEAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc(O)c3)C[C@H]2CCO)CC1 ZINC000104637843 570860525 /nfs/dbraw/zinc/86/05/25/570860525.db2.gz RTFYCRHMUHXZOB-HXUWFJFHSA-N 2 1 361.530 2.134 50 0 FEAAMP O=C(NC[C@H]1CC[N@H+](C2CCCC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584894054 571315043 /nfs/dbraw/zinc/31/50/43/571315043.db2.gz SOGVYLAKOGMGSX-QGZVFWFLSA-N 2 1 357.502 2.178 50 0 FEAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccc(F)c(F)c3)C2)CC1 ZINC000011838974 539536242 /nfs/dbraw/zinc/53/62/42/539536242.db2.gz LVUSOKOAIKMMMW-HNNXBMFYSA-N 2 1 351.441 2.387 50 0 FEAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccc(F)c(F)c3)C2)CC1 ZINC000011838974 539536245 /nfs/dbraw/zinc/53/62/45/539536245.db2.gz LVUSOKOAIKMMMW-HNNXBMFYSA-N 2 1 351.441 2.387 50 0 FEAAMP Cc1nn(C(C)C)c(C)c1CN(C)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072411251 541807614 /nfs/dbraw/zinc/80/76/14/541807614.db2.gz YDFDVDAXAPYDOK-SFHVURJKSA-N 2 1 361.534 2.113 50 0 FEAAMP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+](C[C@H]3CCOC3)CC2)OC1=O ZINC000072469460 541818730 /nfs/dbraw/zinc/81/87/30/541818730.db2.gz MQDXXZVWESSHCL-GOSISDBHSA-N 2 1 367.534 2.288 50 0 FEAAMP C[N@@H+](CCCN1CC2(CC[NH+](CCCO)CC2)OC1=O)C1CCCCC1 ZINC000077488208 542388263 /nfs/dbraw/zinc/38/82/63/542388263.db2.gz OGYZPNVIHDWXHH-UHFFFAOYSA-N 2 1 367.534 2.310 50 0 FEAAMP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCC=C(C)C)CC2)C1 ZINC000071714750 221355741 /nfs/dbraw/zinc/35/57/41/221355741.db2.gz LDKHMQNPRUJHST-SFHVURJKSA-N 2 1 351.535 2.282 50 0 FEAAMP Cc1cc(N2CCN(C(=O)C[N@@H+]3CCc4ccccc4C3)CC2)cc(C)[nH+]1 ZINC000223438655 132279331 /nfs/dbraw/zinc/27/93/31/132279331.db2.gz RSTJFAWHLMISOS-UHFFFAOYSA-N 2 1 364.493 2.405 50 0 FEAAMP Cc1cc(N2CCN(C(=O)C[N@H+]3CCc4ccccc4C3)CC2)cc(C)[nH+]1 ZINC000223438655 132279333 /nfs/dbraw/zinc/27/93/33/132279333.db2.gz RSTJFAWHLMISOS-UHFFFAOYSA-N 2 1 364.493 2.405 50 0 FEAAMP C[N@@H+]1CC[C@H]2C[NH+](C3CC[NH+](CCc4ccccc4)CC3)C[C@@]2(C(=O)[O-])C1 ZINC000091655977 542817913 /nfs/dbraw/zinc/81/79/13/542817913.db2.gz CTLXGVCGNJHVES-UGKGYDQZSA-N 2 1 371.525 2.032 50 0 FEAAMP C[N@H+]1CC[C@H]2C[NH+](C3CC[NH+](CCc4ccccc4)CC3)C[C@@]2(C(=O)[O-])C1 ZINC000091655977 542817916 /nfs/dbraw/zinc/81/79/16/542817916.db2.gz CTLXGVCGNJHVES-UGKGYDQZSA-N 2 1 371.525 2.032 50 0 FEAAMP C[NH+]1CC[C@H]2C[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C[C@@]2(C(=O)[O-])C1 ZINC000091655977 542817919 /nfs/dbraw/zinc/81/79/19/542817919.db2.gz CTLXGVCGNJHVES-UGKGYDQZSA-N 2 1 371.525 2.032 50 0 FEAAMP C[NH+]1CC[C@H]2C[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C[C@@]2(C(=O)[O-])C1 ZINC000091655977 542817921 /nfs/dbraw/zinc/81/79/21/542817921.db2.gz CTLXGVCGNJHVES-UGKGYDQZSA-N 2 1 371.525 2.032 50 0 FEAAMP CC(C)Oc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1CO ZINC000091677737 542819967 /nfs/dbraw/zinc/81/99/67/542819967.db2.gz YNSLKJDCNQTNAA-WOJBJXKFSA-N 2 1 362.514 2.102 50 0 FEAAMP CC(C)Oc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1CO ZINC000091677737 542819971 /nfs/dbraw/zinc/81/99/71/542819971.db2.gz YNSLKJDCNQTNAA-WOJBJXKFSA-N 2 1 362.514 2.102 50 0 FEAAMP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc(Cl)cc3F)C[C@@H]2CO)CC1 ZINC000092038540 542840278 /nfs/dbraw/zinc/84/02/78/542840278.db2.gz OQWSVNQAUAJTGE-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc(Cl)cc3F)C[C@@H]2CO)CC1 ZINC000092038540 542840281 /nfs/dbraw/zinc/84/02/81/542840281.db2.gz OQWSVNQAUAJTGE-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@@H]2CO)CC1 ZINC000092038540 542840283 /nfs/dbraw/zinc/84/02/83/542840283.db2.gz OQWSVNQAUAJTGE-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@@H]2CO)CC1 ZINC000092038540 542840287 /nfs/dbraw/zinc/84/02/87/542840287.db2.gz OQWSVNQAUAJTGE-IAGOWNOFSA-N 2 1 369.912 2.157 50 0 FEAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3cccc(Cl)c3)C[C@@H]2CO)CC1 ZINC000092046863 542841162 /nfs/dbraw/zinc/84/11/62/542841162.db2.gz QSCFHGXHMLCNFL-QZTJIDSGSA-N 2 1 351.922 2.018 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2CO)CC1 ZINC000092046863 542841164 /nfs/dbraw/zinc/84/11/64/542841164.db2.gz QSCFHGXHMLCNFL-QZTJIDSGSA-N 2 1 351.922 2.018 50 0 FEAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2CO)CC1 ZINC000092046863 542841167 /nfs/dbraw/zinc/84/11/67/542841167.db2.gz QSCFHGXHMLCNFL-QZTJIDSGSA-N 2 1 351.922 2.018 50 0 FEAAMP CCn1c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+][C@@H](C)C3)C2)nc2ccccc21 ZINC000253603283 549698587 /nfs/dbraw/zinc/69/85/87/549698587.db2.gz JPOIRTQITQUKTJ-IRXDYDNUSA-N 2 1 369.513 2.089 50 0 FEAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cc(F)ccc3F)C2)CC1 ZINC000012056096 539541574 /nfs/dbraw/zinc/54/15/74/539541574.db2.gz YWINVRSXVHZZMY-AWEZNQCLSA-N 2 1 351.441 2.387 50 0 FEAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3cc(F)ccc3F)C2)CC1 ZINC000012056096 539541579 /nfs/dbraw/zinc/54/15/79/539541579.db2.gz YWINVRSXVHZZMY-AWEZNQCLSA-N 2 1 351.441 2.387 50 0 FEAAMP C[C@H](Cc1ccc2c(c1)OCO2)c1[nH+]ccn1CC1(O)CC[NH+](C)CC1 ZINC000072147517 541789015 /nfs/dbraw/zinc/78/90/15/541789015.db2.gz SRZPBJVADGEXQT-OAHLLOKOSA-N 2 1 357.454 2.415 50 0 FEAAMP Cc1cc(C)cc(OCCN(C)C(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c1 ZINC000072408608 541806304 /nfs/dbraw/zinc/80/63/04/541806304.db2.gz GHZAJGDHOUEMDN-IBGZPJMESA-N 2 1 359.514 2.215 50 0 FEAAMP COC1(c2ccccc2)CCN(C(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)CC1 ZINC000072409406 541806327 /nfs/dbraw/zinc/80/63/27/541806327.db2.gz CNODCRGTIPIVDE-LJQANCHMSA-N 2 1 371.525 2.225 50 0 FEAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCCc1ccncc1)CC[NH+](C)CC2 ZINC000072430966 541812625 /nfs/dbraw/zinc/81/26/25/541812625.db2.gz IJHABZXIDCDYJT-LJQANCHMSA-N 2 1 358.530 2.327 50 0 FEAAMP Cc1cc2[nH]c(C(=O)NCCC[NH+]3CCOCC3)c(C[NH+](C)C)c2s1 ZINC000065139119 221171776 /nfs/dbraw/zinc/17/17/76/221171776.db2.gz XIPWKGMHASSMKY-UHFFFAOYSA-N 2 1 364.515 2.052 50 0 FEAAMP Cc1cnc(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nc1N(C)C ZINC000095523340 132214315 /nfs/dbraw/zinc/21/43/15/132214315.db2.gz DEVDCWRWGVOKLC-KRWDZBQOSA-N 2 1 371.533 2.383 50 0 FEAAMP Cc1cnc(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nc1N(C)C ZINC000095523341 132214351 /nfs/dbraw/zinc/21/43/51/132214351.db2.gz DEVDCWRWGVOKLC-QGZVFWFLSA-N 2 1 371.533 2.383 50 0 FEAAMP Cc1cc(C)c2[nH]c(C[N@@H+]3CCC[C@@](O)(C[NH+](C)C)CC3)cc(=O)c2c1 ZINC000091872070 542829911 /nfs/dbraw/zinc/82/99/11/542829911.db2.gz PIVAAERTXBHXJW-NRFANRHFSA-N 2 1 357.498 2.424 50 0 FEAAMP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](Cc3ccncc3)CC2)n1C ZINC000092045599 542841354 /nfs/dbraw/zinc/84/13/54/542841354.db2.gz ZSIYQCXXXYZSKT-UHFFFAOYSA-N 2 1 351.458 2.143 50 0 FEAAMP Cc1ccccc1[C@@H](C(=O)N1CCC([NH+]2CCC(O)CC2)CC1)[NH+](C)C ZINC000095371903 542962698 /nfs/dbraw/zinc/96/26/98/542962698.db2.gz QHHWBJNGTNJMQF-FQEVSTJZSA-N 2 1 359.514 2.045 50 0 FEAAMP CN1CC[NH+](Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095529282 542982269 /nfs/dbraw/zinc/98/22/69/542982269.db2.gz JEOZJOWSFHCSOU-HXUWFJFHSA-N 2 1 361.530 2.050 50 0 FEAAMP CN1CCN(C(=O)C2([N@@H+](C)Cc3ccccc3)Cc3ccccc3C2)CC1 ZINC000020455048 263380490 /nfs/dbraw/zinc/38/04/90/263380490.db2.gz YOJSAMJRRFGMFA-UHFFFAOYSA-N 2 1 363.505 2.430 50 0 FEAAMP CC(C)[N@H+]1CCN(C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1CCO ZINC000020534187 519681264 /nfs/dbraw/zinc/68/12/64/519681264.db2.gz SJJHZUWTSJEPJS-QFIPXVFZSA-N 2 1 359.558 2.471 50 0 FEAAMP CC(C)[N@@H+]1CCCN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000244873437 548898226 /nfs/dbraw/zinc/89/82/26/548898226.db2.gz WQJYKNYNFFKBET-FQEVSTJZSA-N 2 1 359.514 2.220 50 0 FEAAMP CC(C)[N@H+]1CCCN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000244873437 548898229 /nfs/dbraw/zinc/89/82/29/548898229.db2.gz WQJYKNYNFFKBET-FQEVSTJZSA-N 2 1 359.514 2.220 50 0 FEAAMP CC(C)[NH+]1CCCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000244873437 548898233 /nfs/dbraw/zinc/89/82/33/548898233.db2.gz WQJYKNYNFFKBET-FQEVSTJZSA-N 2 1 359.514 2.220 50 0 FEAAMP CC(C)[NH+]1CCCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000244873437 548898236 /nfs/dbraw/zinc/89/82/36/548898236.db2.gz WQJYKNYNFFKBET-FQEVSTJZSA-N 2 1 359.514 2.220 50 0 FEAAMP Cc1nnc([C@@H]2CC3(C[N@H+]2CCCO)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257177708 549712413 /nfs/dbraw/zinc/71/24/13/549712413.db2.gz XVRRFDNEBDTTSR-SFHVURJKSA-N 2 1 371.485 2.185 50 0 FEAAMP Cc1c[nH+]ccc1N1CCN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000426518830 559736652 /nfs/dbraw/zinc/73/66/52/559736652.db2.gz ROLIXVSXOFLKDU-GOSISDBHSA-N 2 1 359.518 2.200 50 0 FEAAMP